6,7-diethoxy-3-(4-oxidanylidene-4-pyrrolidin-1-yl-butyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6,7-diethoxy-3-(4-oxidanylidene-4-pyrrolidin-1-yl-butyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6,7-diethoxy-3-(4-oxo-4-pyrrolidin-1-yl-butyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 6,7-diethoxy-3-[4-oxo-4-(1-pyrrolidinyl)butyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6,7-diethoxy-3-(4-oxo-4-pyrrolidin-1-ylbutyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,7-diethoxy-3-(4-keto-4-pyrrolidino-butyl)-2-thioxo-1H-quinazolin-4-one Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)N3CCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)N3CCCC3)OCC

InChI

InChI=1S/C20H27N3O4S/c1-3-26-16-12-14-15(13-17(16)27-4-2)21-20(28)23(19(14)25)11-7-8-18(24)22-9-5-6-10-22/h12-13H,3-11H2,1-2H3,(H,21,28)