N-(cyclopentylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(cyclopentylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(cyclopentylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(cyclopentylcarbamoyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(cyclopentylcarbamoyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCC1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCC1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H22N6O2S/c1-13(18(27)25-20(28)24-14-7-5-6-8-14)29-19-16-11-23-26(17(16)21-12-22-19)15-9-3-2-4-10-15/h2-4,9-14H,5-8H2,1H3,(H2,24,25,27,28)