ethyl 5-azanyl-4-(1,3-benzodioxol-5-ylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-azanyl-4-(1,3-benzodioxol-5-ylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-amino-4-(1,3-benzodioxol-5-ylamino)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-4-(1,3-benzodioxol-5-ylamino)-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-(1,3-benzodioxol-5-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(1,3-benzodioxol-5-ylamino)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H16N4O4S2 MolecularWeight: 404.46334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C17H16N4O4S2/c1-3-23-16(22)13-12(18)11-14(20-17(26-2)21-15(11)27-13)19-8-4-5-9-10(6-8)25-7-24-9/h4-6H,3,7,18H2,1-2H3,(H,19,20,21)