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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(1-cyclohexenyl)ethyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-[2-(cyclohexen-1-yl)ethyl]amine Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N6O2/c30-29(31)21-22(24-12-11-19-7-3-1-4-8-19)25-18-26-23(21)28-15-13-27(14-16-28)17-20-9-5-2-6-10-20/h2,5-7,9-10,18H,1,3-4,8,11-17H2,(H,24,25,26)