N-(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(5-carbamoyl-2-pyrrolidin-1-yl-phenyl)-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[5-carbamoyl-2-(1-pyrrolidinyl)phenyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(5-carbamoyl-2-pyrrolidino-phenyl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCC4)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCC4)NC1=S

InChI

InChI=1S/C24H27N5O4S/c1-33-12-4-11-29-23(32)17-7-5-16(14-18(17)27-24(29)34)22(31)26-19-13-15(21(25)30)6-8-20(19)28-9-2-3-10-28/h5-8,13-14H,2-4,9-12H2,1H3,(H2,25,30)(H,26,31)(H,27,34)