[(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-(cyclopropylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic 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] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C(=O)NC2=NC=NC3=C2NC=N3)NC(=O)C4CC4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O[C@@H](C)C(=O)NC2=NC=NC3=C2NC=N3)NC(=O)C4CC4)C

InChI

InChI=1S/C19H20N6O4S/c1-8-10(3)30-18(25-17(27)11-4-5-11)12(8)19(28)29-9(2)16(26)24-15-13-14(21-6-20-13)22-7-23-15/h6-7,9,11H,4-5H2,1-3H3,(H,25,27)(H2,20,21,22,23,24,26)/t9-/m0/s1