[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2,5-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2,5-dimethyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C17H15N7O4S MolecularWeight: 413.4105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C17H15N7O4S/c1-6-9-15(26)22-8(3)23-16(9)29-11(6)17(27)28-7(2)14(25)24-13-10-12(19-4-18-10)20-5-21-13/h4-5,7H,1-3H3,(H,22,23,26)(H2,18,19,20,21,24,25)