N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzyl-1-piperidyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-[4-(phenylmethyl)-1-piperidinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperidino)-5-nitro-pyrimidin-4-yl]-homoveratryl-amine Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H31N5O4/c1-34-22-9-8-20(17-23(22)35-2)10-13-27-25-24(31(32)33)26(29-18-28-25)30-14-11-21(12-15-30)16-19-6-4-3-5-7-19/h3-9,17-18,21H,10-16H2,1-2H3,(H,27,28,29)