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

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(3-pyridylmethyl)pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-N-(3-pyridinylmethyl)-4-pyrimidinamine IUPAC Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Traditional Name: [6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4=CN=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4=CN=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N7O2/c1-16-5-3-7-19(17(16)2)27-9-11-28(12-10-27)22-20(29(30)31)21(25-15-26-22)24-14-18-6-4-8-23-13-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,25,26)