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

Systemtic Name: (2S)-N-(ethylcarbamoyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(ethylcarbamoyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: (2S)-N-(ethylcarbamoyl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(ethylcarbamoyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: (2S)-N-(ethylcarbamoyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C12H16N6O2S MolecularWeight: 308.35944

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NC=NC2=C1C=NN2C

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)SC1=NC=NC2=C1C=NN2C

InChI

InChI=1S/C12H16N6O2S/c1-4-13-12(20)17-10(19)7(2)21-11-8-5-16-18(3)9(8)14-6-15-11/h5-7H,4H2,1-3H3,(H2,13,17,19,20)/t7-/m0/s1