2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C16H20N6O4S MolecularWeight: 392.4328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H20N6O4S/c1-8(2)22-12-13(20(4)16(25)21(5)14(12)24)18-15(22)27-7-11(23)17-10-6-9(3)26-19-10/h6,8H,7H2,1-5H3,(H,17,19,23)