3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(4-methylpiperidino)sulfonylphenyl]propionamide Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C21H26N6O4S/c1-15-7-11-27(12-8-15)32(30,31)17-5-3-16(4-6-17)24-19(28)9-10-26-14-22-20-18(21(26)29)13-23-25(20)2/h3-6,13-15H,7-12H2,1-2H3,(H,24,28)