N-butyl-6-[4-(diphenylmethyl)piperazin-1-yl]-N-methyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-butyl-6-[4-(diphenylmethyl)piperazin-1-yl]-N-methyl-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-butyl-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: N-butyl-6-[4-(diphenylmethyl)-1-piperazinyl]-N-methyl-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-butyl-N-methyl-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-butyl-methyl-amine Formula: C26H32N6O2 MolecularWeight: 460.57128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N6O2/c1-3-4-15-29(2)25-24(32(33)34)26(28-20-27-25)31-18-16-30(17-19-31)23(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,20,23H,3-4,15-19H2,1-2H3