N4-(3-methoxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine

Systemtic Name: N4-(3-methoxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine Openeye Name: N4-(3-methoxyphenyl)-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine-4,5-diamine CAS Name: N4-(3-methoxyphenyl)-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine-4,5-diamine IUPAC Name: 4-N-(3-methoxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C20H23N7O MolecularWeight: 377.44292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H23N7O/c1-28-16-6-4-5-15(13-16)25-19-18(21)20(24-14-23-19)27-11-9-26(10-12-27)17-7-2-3-8-22-17/h2-8,13-14H,9-12,21H2,1H3,(H,23,24,25)