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

Systemtic Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylpyridin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methyl-2-pyridyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-[4-(4-methoxyphenyl)-1-piperazinyl]-N-(3-methyl-2-pyridinyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylpyridin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-[4-(4-methoxyphenyl)piperazino]-5-nitro-pyrimidin-4-yl]-(3-methyl-2-pyridyl)amine Formula: C21H23N7O3 MolecularWeight: 421.45242

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)C4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O3/c1-15-4-3-9-22-19(15)25-20-18(28(29)30)21(24-14-23-20)27-12-10-26(11-13-27)16-5-7-17(31-2)8-6-16/h3-9,14H,10-13H2,1-2H3,(H,22,23,24,25)