N-[(2-cyanophenyl)carbamoyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-[(2-cyanophenyl)carbamoyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[(2-cyanophenyl)carbamoyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[(2-cyanoanilino)-oxomethyl]-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-[(2-cyanophenyl)carbamoyl]-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-[(2-cyanophenyl)carbamoyl]-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C17H15N7O2S MolecularWeight: 381.4117

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1C#N)SC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=CC=C1C#N)SC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C17H15N7O2S/c1-10(27-16-12-8-21-24(2)14(12)19-9-20-16)15(25)23-17(26)22-13-6-4-3-5-11(13)7-18/h3-6,8-10H,1-2H3,(H2,22,23,25,26)