N-[2-(cyclohexen-1-yl)ethyl]-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-benzhydrylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(1-cyclohexenyl)ethyl]-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-benzhydrylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzhydrylpiperazino)-5-nitro-pyrimidin-4-yl]-[2-(cyclohexen-1-yl)ethyl]amine Formula: C29H34N6O2 MolecularWeight: 498.61926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H34N6O2/c36-35(37)27-28(30-17-16-23-10-4-1-5-11-23)31-22-32-29(27)34-20-18-33(19-21-34)26(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h2-3,6-10,12-15,22,26H,1,4-5,11,16-21H2,(H,30,31,32)