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

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-6-pyridin-3-yloxy-pyrimidine Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-6-(3-pyridyloxy)pyrimidine CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-6-(3-pyridinyloxy)pyrimidine IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-6-pyridin-3-yloxypyrimidine Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-6-(3-pyridyloxy)pyrimidine Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3/c1-15-5-3-7-18(16(15)2)25-9-11-26(12-10-25)20-19(27(28)29)21(24-14-23-20)30-17-6-4-8-22-13-17/h3-8,13-14H,9-12H2,1-2H3