N-[(4-thiomorpholin-4-ylphenyl)methyl]-7H-purin-6-amine

Systemtic Name: N-[(4-thiomorpholin-4-ylphenyl)methyl]-7H-purin-6-amine Openeye Name: N-[(4-thiomorpholinophenyl)methyl]-7H-purin-6-amine CAS Name: N-[(4-thiomorpholin-4-ylphenyl)methyl]-7H-purin-6-amine IUPAC Name: N-[(4-thiomorpholin-4-ylphenyl)methyl]-7H-purin-6-amine Traditional Name: 7H-purin-6-yl-(4-thiomorpholinobenzyl)amine Formula: C16H18N6S MolecularWeight: 326.41932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=CC=C(C=C2)CNC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CSCCN1C2=CC=C(C=C2)CNC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H18N6S/c1-3-13(22-5-7-23-8-6-22)4-2-12(1)9-17-15-14-16(19-10-18-14)21-11-20-15/h1-4,10-11H,5-9H2,(H2,17,18,19,20,21)