2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-N-(2-methylpropyl)benzamide

Systemtic Name: 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoylamino]-N-(2-methylpropyl)benzamide Openeye Name: 2-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]amino]-N-isobutyl-benzamide CAS Name: 2-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]amino]-N-(2-methylpropyl)benzamide IUPAC Name: 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide Traditional Name: 2-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]amino]-N-isobutyl-benzamide Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C18H20N6O2S/c1-11(2)8-21-17(26)13-5-3-4-6-14(13)23-15(25)10-27-18-22-9-12(7-19)16(20)24-18/h3-6,9,11H,8,10H2,1-2H3,(H,21,26)(H,23,25)(H2,20,22,24)