3-(3-methoxypropyl)-4-oxidanylidene-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-4-oxidanylidene-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-4-oxo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-4-oxo-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-4-oxo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-N-[2-(pyrrolidinomethyl)benzyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCCC4)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCCC4)NC1=S

InChI

InChI=1S/C25H30N4O3S/c1-32-14-6-13-29-24(31)21-10-9-18(15-22(21)27-25(29)33)23(30)26-16-19-7-2-3-8-20(19)17-28-11-4-5-12-28/h2-3,7-10,15H,4-6,11-14,16-17H2,1H3,(H,26,30)(H,27,33)