54683792 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 5 5 6 6 6 7 7 7 8 9 9 10 10 10 13 14 15 16 16 16 17 17 17 18 18 18 13 31 11 12 14 8 10 14 8 12 16 11 12 18 9 11 13 17 19 20 15 15 21 22 23 24 25 26 27 28 29 30 1 1 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 3.7817 5.5301 7.2622 2 3.7702 5.5301 6.3961 4.6641 4.6641 3.7817 5.5301 6.3961 3.7702 2.8641 2.8641 5.5301 2.9215 7.2622 4.0005 4.391 2.3284 4.9101 5.5301 6.1501 2.6054 2.3882 3.2377 7.5722 7.7991 6.9522 3.2484 2.1315 2.0969 -0.9031 -0.9273 -0.9378 -0.9031 0.5969 -0.4031 0.5969 -1.9377 1.0969 -0.4031 1.1316 -0.4239 0.6177 -1.9031 -2.4477 1.0969 -2.5178 -1.823 0.9298 -1.9031 -2.5231 -1.9031 -1.9144 -2.7639 -2.981 0.56 1.4069 1.6338 2.4477 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 7 8 9 9 13 14 8 14 8 12 11 12 9 11 13 15 15 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 520 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0733800000000000000000000000000000000000000204000000000000000800000001E00000800000C04C180040300030002008802215250008000002020000008010800488804040000000440000A27228891420000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 8-ethyl-5-hydroxy-1,3-dimethyl-pyrido[2,3-d]pyrimidine-2,4,7-trione IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 8-ethyl-5-hydroxy-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 8-ethyl-5-hydroxy-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 8-ethyl-5-hydroxy-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 8-ethyl-1,3-dimethyl-5-oxidanyl-pyrido[2,3-d]pyrimidine-2,4,7-trione IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 8-ethyl-5-hydroxy-1,3-dimethyl-pyrido[2,3-d]pyrimidine-2,4,7-trione InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H13N3O4/c1-4-14-7(16)5-6(15)8-9(14)12(2)11(18)13(3)10(8)17/h5,15H,4H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AIAYUASEXGBUST-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 251.09060590 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H13N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 251.24 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C(=O)C=C(C2=C1N(C(=O)N(C2=O)C)C)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN1C(=O)C=C(C2=C1N(C(=O)N(C2=O)C)C)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 81.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 251.09060590 18 0 0 0 0 0 0 0 1 -1