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

Systemtic Name: N-(4-butylphenyl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(4-butylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(4-butylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C31H34N6O2 MolecularWeight: 522.64066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H34N6O2/c1-2-3-10-24-15-17-27(18-16-24)34-30-29(37(38)39)31(33-23-32-30)36-21-19-35(20-22-36)28(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-9,11-18,23,28H,2-3,10,19-22H2,1H3,(H,32,33,34)