N-(2-methoxy-5-nitro-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propionamide Formula: C20H24N8O4 MolecularWeight: 440.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C20H24N8O4/c1-13(20(29)24-16-10-14(28(30)31)4-5-17(16)32-3)26-6-8-27(9-7-26)19-15-11-23-25(2)18(15)21-12-22-19/h4-5,10-13H,6-9H2,1-3H3,(H,24,29)