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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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