3-ethyl-7-[[4-(4-hydroxyphenyl)carbonylphenyl]methyl]-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-ethyl-7-[[4-(4-hydroxyphenyl)carbonylphenyl]methyl]-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-7-[[4-(4-hydroxybenzoyl)phenyl]methyl]-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-7-[[4-[(4-hydroxyphenyl)-oxomethyl]phenyl]methyl]-2-(methylthio)-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-7-[[4-(4-hydroxybenzoyl)phenyl]methyl]-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-7-[4-(4-hydroxybenzoyl)benzyl]-2-(methylthio)pyrrolo[2,3-d]pyrimidin-4-one Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SC)N(C=C2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)O

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SC)N(C=C2)CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)O

InChI

InChI=1S/C23H21N3O3S/c1-3-26-22(29)19-12-13-25(21(19)24-23(26)30-2)14-15-4-6-16(7-5-15)20(28)17-8-10-18(27)11-9-17/h4-13,27H,3,14H2,1-2H3