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

Systemtic Name: 4-(4-bromanylphenoxy)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-(4-bromophenoxy)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-(4-bromophenoxy)-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-(4-bromophenoxy)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-(4-bromophenoxy)-6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidine Formula: C22H22BrN5O3 MolecularWeight: 484.34578

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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)Br)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN5O3/c1-15-4-3-5-19(16(15)2)26-10-12-27(13-11-26)21-20(28(29)30)22(25-14-24-21)31-18-8-6-17(23)7-9-18/h3-9,14H,10-13H2,1-2H3