2-[(3-chlorophenyl)methylsulfanyl]-5-methyl-7-phenyl-3-prop-2-enyl-pyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-methyl-7-phenyl-3-prop-2-enyl-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(3-chlorophenyl)methylsulfanyl]-5-methyl-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-5-methyl-7-phenyl-3-prop-2-enyl-4-pyrrolo[3,2-d]pyrimidinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-methyl-7-phenyl-3-prop-2-enylpyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(3-chlorobenzyl)thio]-5-methyl-7-phenyl-pyrrolo[3,2-d]pyrimidin-4-one Formula: C23H20ClN3OS MolecularWeight: 421.9424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)Cl)CC=C)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)Cl)CC=C)C4=CC=CC=C4

InChI

InChI=1S/C23H20ClN3OS/c1-3-12-27-22(28)21-20(19(14-26(21)2)17-9-5-4-6-10-17)25-23(27)29-15-16-8-7-11-18(24)13-16/h3-11,13-14H,1,12,15H2,2H3