4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-N-(3-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-[3-(2-ketopyrrolidino)propyl]-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S

Isomeric SMILES

C1CC(=O)N(C1)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S

InChI

InChI=1S/C22H23N5O3S/c28-19-5-2-9-26(19)10-3-11-27-21(30)17-7-6-16(12-18(17)25-22(27)31)20(29)24-14-15-4-1-8-23-13-15/h1,4,6-8,12-13H,2-3,5,9-11,14H2,(H,24,29)(H,25,31)