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

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methoxyphenoxy)-5-nitro-pyrimidine Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methoxyphenoxy)-5-nitro-pyrimidine CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-(4-methoxyphenoxy)-5-nitropyrimidine IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methoxyphenoxy)-5-nitropyrimidine Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-6-(4-methoxyphenoxy)-5-nitro-pyrimidine Formula: C23H25N5O4 MolecularWeight: 435.4757

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4/c1-16-5-4-6-20(17(16)2)26-11-13-27(14-12-26)22-21(28(29)30)23(25-15-24-22)32-19-9-7-18(31-3)8-10-19/h4-10,15H,11-14H2,1-3H3