2-[4-(5-methyl-2-oxidanyl-phenyl)carbonyl-1-(phenylmethyl)pyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[4-(5-methyl-2-oxidanyl-phenyl)carbonyl-1-(phenylmethyl)pyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[1-benzyl-4-(2-hydroxy-5-methyl-benzoyl)pyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-(phenylmethyl)-2-pyrrolyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[1-benzyl-4-(2-hydroxy-5-methylbenzoyl)pyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[1-benzyl-4-(2-hydroxy-5-methyl-benzoyl)pyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=C2)C3=NC(=O)C4=C(N3)C=CS4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=C2)C3=NC(=O)C4=C(N3)C=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C25H19N3O3S/c1-15-7-8-21(29)18(11-15)22(30)17-12-20(28(14-17)13-16-5-3-2-4-6-16)24-26-19-9-10-32-23(19)25(31)27-24/h2-12,14,29H,13H2,1H3,(H,26,27,31)