5-(3-hydroxyphenyl)-1-methyl-2-(phenylmethylsulfanyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione

Systemtic Name: 5-(3-hydroxyphenyl)-1-methyl-2-(phenylmethylsulfanyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione Openeye Name: 2-benzylsulfanyl-5-(3-hydroxyphenyl)-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione CAS Name: 5-(3-hydroxyphenyl)-1-methyl-2-(phenylmethylthio)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione IUPAC Name: 2-benzylsulfanyl-5-(3-hydroxyphenyl)-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-dione Traditional Name: 2-(benzylthio)-5-(3-hydroxyphenyl)-1-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4,7-quinone Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(CC(=O)N2)C3=CC(=CC=C3)O)C(=O)N=C1SCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(CC(=O)N2)C3=CC(=CC=C3)O)C(=O)N=C1SCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3S/c1-24-19-18(16(11-17(26)22-19)14-8-5-9-15(25)10-14)20(27)23-21(24)28-12-13-6-3-2-4-7-13/h2-10,16,25H,11-12H2,1H3,(H,22,26)