N-(2-methyl-3-nitro-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]acetamide Formula: C19H22N8O3 MolecularWeight: 410.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CN2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CN2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C19H22N8O3/c1-13-15(4-3-5-16(13)27(29)30)23-17(28)11-25-6-8-26(9-7-25)19-14-10-22-24(2)18(14)20-12-21-19/h3-5,10,12H,6-9,11H2,1-2H3,(H,23,28)