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

Systemtic Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methanone Formula: C20H23N7O5 MolecularWeight: 441.44052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N7O5/c1-4-32-17-9-13(15(27(29)30)10-16(17)31-3)20(28)26-7-5-25(6-8-26)19-14-11-23-24(2)18(14)21-12-22-19/h9-12H,4-8H2,1-3H3