2-chloranyl-N-[[6-(3-methoxyphenyl)pyridin-3-yl]methyl]-9-propan-2-yl-purin-6-amine

Systemtic Name: 2-chloranyl-N-[[6-(3-methoxyphenyl)pyridin-3-yl]methyl]-9-propan-2-yl-purin-6-amine Openeye Name: 2-chloro-9-isopropyl-N-[[6-(3-methoxyphenyl)-3-pyridyl]methyl]purin-6-amine CAS Name: 2-chloro-N-[[6-(3-methoxyphenyl)-3-pyridinyl]methyl]-9-propan-2-yl-6-purinamine IUPAC Name: 2-chloro-N-[[6-(3-methoxyphenyl)pyridin-3-yl]methyl]-9-propan-2-ylpurin-6-amine Traditional Name: (2-chloro-9-isopropyl-purin-6-yl)-[[6-(3-methoxyphenyl)-3-pyridyl]methyl]amine Formula: C21H21ClN6O MolecularWeight: 408.88404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CN=C(C=C3)C4=CC(=CC=C4)OC)Cl

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CN=C(C=C3)C4=CC(=CC=C4)OC)Cl

InChI

InChI=1S/C21H21ClN6O/c1-13(2)28-12-25-18-19(26-21(22)27-20(18)28)24-11-14-7-8-17(23-10-14)15-5-4-6-16(9-15)29-3/h4-10,12-13H,11H2,1-3H3,(H,24,26,27)