1-methyl-N-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]pyrrole-2-carboxamide

Systemtic Name: 1-methyl-N-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]pyrrole-2-carboxamide Openeye Name: N-[2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: 1-methyl-N-[2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-N-[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]pyrrole-2-carboxamide Traditional Name: N-[2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)C3=CC=CN3C

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)C3=CC=CN3C

InChI

InChI=1S/C21H24N4O3S/c1-14(2)10-12-25-20(28)15-7-4-5-8-16(15)22-21(25)29-13-18(26)23-19(27)17-9-6-11-24(17)3/h4-9,11,14H,10,12-13H2,1-3H3,(H,23,26,27)