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

Systemtic Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N-methyl-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C24H28N6O2 MolecularWeight: 432.51812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)N(C)CC4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)N(C)CC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C24H28N6O2/c1-18-8-7-11-21(19(18)2)28-12-14-29(15-13-28)24-22(30(31)32)23(25-17-26-24)27(3)16-20-9-5-4-6-10-20/h4-11,17H,12-16H2,1-3H3