N-[(1R)-1-cyclopropylethyl]-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-cyclopropylethyl]-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(1R)-1-cyclopropylethyl]-2-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(1R)-1-cyclopropylethyl]-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(1R)-1-cyclopropylethyl]-2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(1R)-1-cyclopropylethyl]-2-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)C4CC4

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N[C@H](C)C4CC4

InChI

InChI=1S/C21H22N4O2S/c1-13-7-10-18(22-11-13)25-20(27)16-5-3-4-6-17(16)24-21(25)28-12-19(26)23-14(2)15-8-9-15/h3-7,10-11,14-15H,8-9,12H2,1-2H3,(H,23,26)/t14-/m1/s1