6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-pyridin-4-yl-pyrimidin-4-amine

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-pyridin-4-yl-pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(4-pyridyl)pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-N-pyridin-4-yl-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-pyridin-4-ylpyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(4-pyridyl)amine Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=NC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NC4=CC=NC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N7O2/c1-15-4-3-5-18(16(15)2)26-10-12-27(13-11-26)21-19(28(29)30)20(23-14-24-21)25-17-6-8-22-9-7-17/h3-9,14H,10-13H2,1-2H3,(H,22,23,24,25)