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

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 5-azanyl-2,4-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 5-amino-2,4-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2,4-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2,4-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C17H16N8O3S MolecularWeight: 412.42574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(SC2=NC(=N1)C)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4)N

Isomeric SMILES

CC1=C2C(=C(SC2=NC(=N1)C)C(=O)O[C@@H](C)C(=O)NC3=NC=NC4=C3NC=N4)N

InChI

InChI=1S/C17H16N8O3S/c1-6-9-10(18)12(29-16(9)24-8(3)23-6)17(27)28-7(2)15(26)25-14-11-13(20-4-19-11)21-5-22-14/h4-5,7H,18H2,1-3H3,(H2,19,20,21,22,25,26)/t7-/m0/s1