N-[(2-methylcyclohexyl)carbamoyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2-methylcyclohexyl)carbamoyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(2-methylcyclohexyl)carbamoyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[[(2-methylcyclohexyl)amino]-oxomethyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(2-methylcyclohexyl)carbamoyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[(2-methylcyclohexyl)carbamoyl]-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC1CCCCC1NC(=O)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H24N6O2S/c1-14-7-5-6-10-17(14)25-21(29)26-18(28)12-30-20-16-11-24-27(19(16)22-13-23-20)15-8-3-2-4-9-15/h2-4,8-9,11,13-14,17H,5-7,10,12H2,1H3,(H2,25,26,28,29)