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

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-isopropylphenoxy)-5-nitro-pyrimidine CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidine Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-6-(4-isopropylphenoxy)-5-nitro-pyrimidine Formula: C25H29N5O3 MolecularWeight: 447.52946

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O3/c1-17(2)20-8-10-21(11-9-20)33-25-23(30(31)32)24(26-16-27-25)29-14-12-28(13-15-29)22-7-5-6-18(3)19(22)4/h5-11,16-17H,12-15H2,1-4H3