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

Systemtic Name: N-[(2-chlorophenyl)methyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-[(2-chlorophenyl)methyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-[(2-chlorophenyl)methyl]-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-[(2-chlorophenyl)methyl]-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: (2-chlorobenzyl)-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C23H25ClN6O2 MolecularWeight: 452.9366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4=CC=CC=C4Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NCC4=CC=CC=C4Cl)[N+](=O)[O-])C

InChI

InChI=1S/C23H25ClN6O2/c1-16-6-5-9-20(17(16)2)28-10-12-29(13-11-28)23-21(30(31)32)22(26-15-27-23)25-14-18-7-3-4-8-19(18)24/h3-9,15H,10-14H2,1-2H3,(H,25,26,27)