2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C25H30N4O2S/c1-18(2)13-16-29-24(31)21-7-3-4-8-22(21)27-25(29)32-17-23(30)26-19-9-11-20(12-10-19)28-14-5-6-15-28/h3-4,7-12,18H,5-6,13-17H2,1-2H3,(H,26,30)