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

Systemtic Name: N-(5-aminocarbonyl-2-pyrrolidin-1-yl-phenyl)-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(5-carbamoyl-2-pyrrolidin-1-yl-phenyl)-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[5-carbamoyl-2-(1-pyrrolidinyl)phenyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(5-carbamoyl-2-pyrrolidino-phenyl)-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCC4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)N)N4CCCC4)NC1=S

InChI

InChI=1S/C21H21N5O3S/c1-25-20(29)14-6-4-13(11-15(14)24-21(25)30)19(28)23-16-10-12(18(22)27)5-7-17(16)26-8-2-3-9-26/h4-7,10-11H,2-3,8-9H2,1H3,(H2,22,27)(H,23,28)(H,24,30)