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

Systemtic Name: N-(4-butoxyphenyl)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(4-butoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(4-butoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-(4-butoxyphenyl)amine Formula: C31H34N6O3 MolecularWeight: 538.64006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCOC1=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/C31H34N6O3/c1-2-3-22-40-27-16-14-26(15-17-27)34-30-29(37(38)39)31(33-23-32-30)36-20-18-35(19-21-36)28(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,23,28H,2-3,18-22H2,1H3,(H,32,33,34)