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

Systemtic Name: N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[3-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-[3-(4-ethylpiperazino)sulfonylphenyl]-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C21H27N7O4S MolecularWeight: 473.54858

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C21H27N7O4S/c1-3-26-9-11-28(12-10-26)33(31,32)17-6-4-5-16(13-17)24-19(29)7-8-27-15-22-20-18(21(27)30)14-23-25(20)2/h4-6,13-15H,3,7-12H2,1-2H3,(H,24,29)