2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: [5-nitro-2-(4-veratrylpiperazino)pyrimidin-4-yl]amine Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=NC=C(C(=N3)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=NC=C(C(=N3)N)[N+](=O)[O-])OC

InChI

InChI=1S/C17H22N6O4/c1-26-14-4-3-12(9-15(14)27-2)11-21-5-7-22(8-6-21)17-19-10-13(23(24)25)16(18)20-17/h3-4,9-10H,5-8,11H2,1-2H3,(H2,18,19,20)