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

Systemtic Name: 2-methoxyethyl 4-(1,3-benzodioxol-5-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC4=C(C=C3)OCO4)C(=O)OCCOC

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC4=C(C=C3)OCO4)C(=O)OCCOC

InChI

InChI=1S/C18H17N3O5S/c1-10-14-16(21-11-3-4-12-13(7-11)26-9-25-12)19-8-20-17(14)27-15(10)18(22)24-6-5-23-2/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,20,21)