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

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2S/c1-18(2)12-13-29-24(32)21-10-6-7-11-22(21)28-25(29)33-17-23(31)26-14-19-15-27-30(16-19)20-8-4-3-5-9-20/h3-11,15-16,18H,12-14,17H2,1-2H3,(H,26,31)