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

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-pyridin-3-yl-pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(3-pyridyl)pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-N-(3-pyridinyl)-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-pyridin-3-ylpyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(3-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=CN=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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