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

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3-methylphenoxy)-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-chloro-3-methylphenoxy)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidine Formula: C23H24ClN5O3 MolecularWeight: 453.92136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)OC4=CC(=C(C=C4)Cl)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)OC4=CC(=C(C=C4)Cl)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H24ClN5O3/c1-15-5-4-6-20(17(15)3)27-9-11-28(12-10-27)22-21(29(30)31)23(26-14-25-22)32-18-7-8-19(24)16(2)13-18/h4-8,13-14H,9-12H2,1-3H3