N-[1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[1-methyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[2-keto-1-methyl-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]ethyl]-3-nitro-benzamide Formula: C20H22N8O4 MolecularWeight: 438.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=NC3=C2C=NN3C)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=NC3=C2C=NN3C)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N8O4/c1-13(24-19(29)14-4-3-5-15(10-14)28(31)32)20(30)27-8-6-26(7-9-27)18-16-11-23-25(2)17(16)21-12-22-18/h3-5,10-13H,6-9H2,1-2H3,(H,24,29)