2,6-bis[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 2,6-bis[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 2,6-bis(4-benzhydrylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: 2,6-bis[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 2,6-bis(4-benzhydrylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [2,6-bis(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C38H40N8O2 MolecularWeight: 640.7766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC(=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N)[N+](=O)[O-])C(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC(=N2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N)[N+](=O)[O-])C(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C38H40N8O2/c39-36-35(46(47)48)37(44-25-21-42(22-26-44)33(29-13-5-1-6-14-29)30-15-7-2-8-16-30)41-38(40-36)45-27-23-43(24-28-45)34(31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-20,33-34H,21-28H2,(H2,39,40,41)