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

Systemtic Name: N-cyclopropyl-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[5-nitro-2-(4-veratrylpiperazino)pyrimidin-4-yl]amine Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-])OC

InChI

InChI=1S/C20H26N6O4/c1-29-17-6-3-14(11-18(17)30-2)13-24-7-9-25(10-8-24)20-21-12-16(26(27)28)19(23-20)22-15-4-5-15/h3,6,11-12,15H,4-5,7-10,13H2,1-2H3,(H,21,22,23)