2-methylsulfanyl-N-(phenylmethyl)-9-propan-2-yl-purin-6-amine

Systemtic Name: 2-methylsulfanyl-N-(phenylmethyl)-9-propan-2-yl-purin-6-amine Openeye Name: N-benzyl-9-isopropyl-2-methylsulfanyl-purin-6-amine CAS Name: 2-(methylthio)-N-(phenylmethyl)-9-propan-2-yl-6-purinamine IUPAC Name: N-benzyl-2-methylsulfanyl-9-propan-2-ylpurin-6-amine Traditional Name: benzyl-[9-isopropyl-2-(methylthio)purin-6-yl]amine Formula: C16H19N5S MolecularWeight: 313.42056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)SC

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)SC

InChI

InChI=1S/C16H19N5S/c1-11(2)21-10-18-13-14(19-16(22-3)20-15(13)21)17-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,17,19,20)