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

Systemtic Name: 2-[4-(5-methyl-2-oxidanyl-phenyl)carbonyl-1-propyl-pyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[4-(2-hydroxy-5-methyl-benzoyl)-1-propyl-pyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-propyl-2-pyrrolyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[4-(2-hydroxy-5-methylbenzoyl)-1-propylpyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[4-(2-hydroxy-5-methyl-benzoyl)-1-propyl-pyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C2=NC(=O)C3=C(N2)C=CS3)C(=O)C4=C(C=CC(=C4)C)O

Isomeric SMILES

CCCN1C=C(C=C1C2=NC(=O)C3=C(N2)C=CS3)C(=O)C4=C(C=CC(=C4)C)O

InChI

InChI=1S/C21H19N3O3S/c1-3-7-24-11-13(18(26)14-9-12(2)4-5-17(14)25)10-16(24)20-22-15-6-8-28-19(15)21(27)23-20/h4-6,8-11,25H,3,7H2,1-2H3,(H,22,23,27)