2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-tert-butyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-tert-butyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-benzyl-N-tert-butyl-acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-tert-butyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-benzyl-N-tert-butylacetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-benzyl-N-tert-butyl-acetamide Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C18H22N6OS/c1-18(2,3)24(9-12-7-5-4-6-8-12)13(25)10-26-17-22-14-15(19)20-11-21-16(14)23-17/h4-8,11H,9-10H2,1-3H3,(H3,19,20,21,22,23)