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

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic 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] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C18H17N7O3S MolecularWeight: 411.43768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4)N)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)O[C@@H](C)C(=O)NC3=NC=NC4=C3NC=N4)N)C

InChI

InChI=1S/C18H17N7O3S/c1-7-4-8(2)24-17-10(7)11(19)13(29-17)18(27)28-9(3)16(26)25-15-12-14(21-5-20-12)22-6-23-15/h4-6,9H,19H2,1-3H3,(H2,20,21,22,23,25,26)/t9-/m0/s1