N-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O3S/c1-13(2)8-10-26-20(29)15-7-6-14(22)11-16(15)23-21(26)30-12-18(27)24-19(28)17-5-4-9-25(17)3/h4-7,9,11,13H,8,10,12H2,1-3H3,(H,24,27,28)