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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylamino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S/c1-3-22-17(21)14-9(2)13-15(18-7-19-16(13)25-14)20-10-4-5-11-12(6-10)24-8-23-11/h4-7H,3,8H2,1-2H3,(H,18,19,20)