6,7-dimethoxy-2-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(2-keto-2-pyrrolidino-ethyl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCC(=O)N3CCCC3)OC

InChI

InChI=1S/C17H21N3O4S/c1-23-13-7-11-12(8-14(13)24-2)18-15(19-17(11)22)9-25-10-16(21)20-5-3-4-6-20/h7-8H,3-6,9-10H2,1-2H3,(H,18,19,22)