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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C)[N+](=O)[O-]

InChI

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