4-cyclohexyloxy-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-cyclohexyloxy-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(cyclohexoxy)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-cyclohexyloxy-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-cyclohexyloxy-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(cyclohexoxy)-6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidine Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)OC4CCCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)OC4CCCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C22H29N5O3/c1-16-7-6-10-19(17(16)2)25-11-13-26(14-12-25)21-20(27(28)29)22(24-15-23-21)30-18-8-4-3-5-9-18/h6-7,10,15,18H,3-5,8-9,11-14H2,1-2H3