N4-[1-(phenylmethyl)indazol-5-yl]-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-[1-(phenylmethyl)indazol-5-yl]-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(1-benzylindazol-5-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine CAS Name: N4-[1-(phenylmethyl)-5-indazolyl]-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(1-benzylindazol-5-yl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Traditional Name: (1-benzylindazol-5-yl)-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amine Formula: C27H26N6O3 MolecularWeight: 482.53374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)N(N=C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)N(N=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N6O3/c1-34-23-14-21(15-24(35-2)26(23)36-3)31-27-28-12-11-25(32-27)30-20-9-10-22-19(13-20)16-29-33(22)17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H2,28,30,31,32)