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

Systemtic Name: 4-(3,4-dimethylphenoxy)-6-[4-(diphenylmethyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidine CAS Name: 4-(3,4-dimethylphenoxy)-6-[4-(diphenylmethyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-6-(3,4-dimethylphenoxy)-5-nitropyrimidine Traditional Name: 4-(4-benzhydrylpiperazino)-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidine Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H29N5O3/c1-21-13-14-25(19-22(21)2)37-29-27(34(35)36)28(30-20-31-29)33-17-15-32(16-18-33)26(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-14,19-20,26H,15-18H2,1-2H3