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

Systemtic Name: 2-[4-(5-chloranyl-2-oxidanyl-phenyl)carbonyl-1-methyl-pyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[4-(5-chloro-2-hydroxy-benzoyl)-1-methyl-pyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[4-[(5-chloro-2-hydroxyphenyl)-oxomethyl]-1-methyl-2-pyrrolyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[4-(5-chloro-2-hydroxybenzoyl)-1-methylpyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[4-(5-chloro-2-hydroxy-benzoyl)-1-methyl-pyrrol-2-yl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C18H12ClN3O3S MolecularWeight: 385.82418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C2=NC(=O)C3=C(N2)C=CS3)C(=O)C4=C(C=CC(=C4)Cl)O

Isomeric SMILES

CN1C=C(C=C1C2=NC(=O)C3=C(N2)C=CS3)C(=O)C4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C18H12ClN3O3S/c1-22-8-9(15(24)11-7-10(19)2-3-14(11)23)6-13(22)17-20-12-4-5-26-16(12)18(25)21-17/h2-8,23H,1H3,(H,20,21,25)