2-[(2-azanyl-7H-purin-6-yl)sulfanyl]-N-(diphenylmethyl)propanamide

Systemtic Name: 2-[(2-azanyl-7H-purin-6-yl)sulfanyl]-N-(diphenylmethyl)propanamide Openeye Name: 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-benzhydryl-propanamide CAS Name: 2-[(2-amino-7H-purin-6-yl)thio]-N-(diphenylmethyl)propanamide IUPAC Name: 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-benzhydrylpropanamide Traditional Name: 2-[(2-amino-7H-purin-6-yl)thio]-N-benzhydryl-propionamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC(=NC4=C3NC=N4)N

Isomeric SMILES

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC(=NC4=C3NC=N4)N

InChI

InChI=1S/C21H20N6OS/c1-13(29-20-17-18(24-12-23-17)26-21(22)27-20)19(28)25-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,16H,1H3,(H,25,28)(H3,22,23,24,26,27)