3-[(2-azanyl-7H-purin-6-yl)sulfanyl]-1-phenyl-propan-1-one

Systemtic Name: 3-[(2-azanyl-7H-purin-6-yl)sulfanyl]-1-phenyl-propan-1-one Openeye Name: 3-[(2-amino-7H-purin-6-yl)sulfanyl]-1-phenyl-propan-1-one CAS Name: 3-[(2-amino-7H-purin-6-yl)thio]-1-phenyl-1-propanone IUPAC Name: 3-[(2-amino-7H-purin-6-yl)sulfanyl]-1-phenylpropan-1-one Traditional Name: 3-[(2-amino-7H-purin-6-yl)thio]-1-phenyl-propan-1-one Formula: C14H13N5OS MolecularWeight: 299.35092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCSC2=NC(=NC3=C2NC=N3)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCSC2=NC(=NC3=C2NC=N3)N

InChI

InChI=1S/C14H13N5OS/c15-14-18-12-11(16-8-17-12)13(19-14)21-7-6-10(20)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,15,16,17,18,19)