N-[(6-azanylpurin-7-yl)methyl]-N-(2-hydroxyethyl)-4-methyl-benzenesulfonamide

Systemtic Name: N-[(6-azanylpurin-7-yl)methyl]-N-(2-hydroxyethyl)-4-methyl-benzenesulfonamide Openeye Name: N-[(6-aminopurin-7-yl)methyl]-N-(2-hydroxyethyl)-4-methyl-benzenesulfonamide CAS Name: N-[(6-amino-7-purinyl)methyl]-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide IUPAC Name: N-[(6-aminopurin-7-yl)methyl]-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide Traditional Name: N-[(6-aminopurin-7-yl)methyl]-N-(2-hydroxyethyl)-4-methyl-benzenesulfonamide Formula: C15H18N6O3S MolecularWeight: 362.40682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCO)CN2C=NC3=C2C(=NC=N3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCO)CN2C=NC3=C2C(=NC=N3)N

InChI

InChI=1S/C15H18N6O3S/c1-11-2-4-12(5-3-11)25(23,24)21(6-7-22)10-20-9-19-15-13(20)14(16)17-8-18-15/h2-5,8-9,22H,6-7,10H2,1H3,(H2,16,17,18)