4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidine CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidine Formula: C29H28ClN5O3 MolecularWeight: 530.01732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28ClN5O3/c1-20-17-24(18-21(2)25(20)30)38-29-27(35(36)37)28(31-19-32-29)34-15-13-33(14-16-34)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17-19,26H,13-16H2,1-2H3