4-cyclohexyloxy-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-cyclohexyloxy-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(cyclohexoxy)-5-nitro-pyrimidine CAS Name: 4-cyclohexyloxy-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-cyclohexyloxy-5-nitropyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-6-(cyclohexoxy)-5-nitro-pyrimidine Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H31N5O3/c33-32(34)25-26(28-20-29-27(25)35-23-14-8-3-9-15-23)31-18-16-30(17-19-31)24(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-2,4-7,10-13,20,23-24H,3,8-9,14-19H2