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

Systemtic Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C18H17N3O4S/c1-3-23-18(22)15-10(2)14-16(19-9-20-17(14)26-15)21-11-4-5-12-13(8-11)25-7-6-24-12/h4-5,8-9H,3,6-7H2,1-2H3,(H,19,20,21)