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

Systemtic Name: N-(3-methylpyridin-2-yl)-5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-N-(3-methyl-2-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-methyl-2-pyridinyl)-5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-N-(3-methylpyridin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(3-methyl-2-pyridyl)amine Formula: C21H23N7O2 MolecularWeight: 405.45302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N7O2/c1-16-6-5-9-22-19(16)25-20-18(28(29)30)21(24-15-23-20)27-12-10-26(11-13-27)14-17-7-3-2-4-8-17/h2-9,15H,10-14H2,1H3,(H,22,23,24,25)