3-phenethyl-N-(1-phenylpropan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

Systemtic Name: 3-phenethyl-N-(1-phenylpropan-2-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: N-(1-methyl-2-phenyl-ethyl)-3-phenethyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: 3-phenethyl-N-(1-phenylpropan-2-yl)-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: 3-phenethyl-N-(1-phenylpropan-2-yl)triazolo[4,5-d]pyrimidin-7-amine Traditional Name: (1-methyl-2-phenyl-ethyl)-(3-phenethyltriazolo[4,5-d]pyrimidin-7-yl)amine Formula: C21H22N6 MolecularWeight: 358.43958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC2=NC=NC3=C2N=NN3CCC4=CC=CC=C4

Isomeric SMILES

CC(CC1=CC=CC=C1)NC2=NC=NC3=C2N=NN3CCC4=CC=CC=C4

InChI

InChI=1S/C21H22N6/c1-16(14-18-10-6-3-7-11-18)24-20-19-21(23-15-22-20)27(26-25-19)13-12-17-8-4-2-5-9-17/h2-11,15-16H,12-14H2,1H3,(H,22,23,24)