N6-methyl-N6-(1-methylpiperidin-4-yl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-methyl-N6-(1-methylpiperidin-4-yl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-methyl-N6-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-methyl-N6-(1-methyl-4-piperidinyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-[methyl-(1-methyl-4-piperidyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)N(C)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H30N6O2/c1-28-15-13-22(14-16-28)29(2)24-23(31(32)33)25(27-19-26-24)30(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-12,19,22H,13-18H2,1-2H3