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

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-1-yl]-N-(4-ethoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(4-ethoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(diphenylmethyl)-1-piperazinyl]-N-(4-ethoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-(4-ethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C29H30N6O3 MolecularWeight: 510.5869

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=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/C29H30N6O3/c1-2-38-25-15-13-24(14-16-25)32-28-27(35(36)37)29(31-21-30-28)34-19-17-33(18-20-34)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,21,26H,2,17-20H2,1H3,(H,30,31,32)