ethyl 5-azanyl-2-methylsulfanyl-4-(propan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-2-methylsulfanyl-4-(propan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-(isopropylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-(methylthio)-4-(propan-2-ylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-methylsulfanyl-4-(propan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(isopropylamino)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C13H18N4O2S2 MolecularWeight: 326.43762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC(C)C)N

InChI

InChI=1S/C13H18N4O2S2/c1-5-19-12(18)9-8(14)7-10(15-6(2)3)16-13(20-4)17-11(7)21-9/h6H,5,14H2,1-4H3,(H,15,16,17)