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

Systemtic Name: 4-(1,3-benzodioxol-5-ylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(1,3-benzodioxol-5-ylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylamino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-(1,3-benzodioxol-5-ylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C16H12N3O4S- MolecularWeight: 342.34918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=CC4=C(C=C3)OCO4)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=CC4=C(C=C3)OCO4)C)C(=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c1-7-12-14(17-8(2)18-15(12)24-13(7)16(20)21)19-9-3-4-10-11(5-9)23-6-22-10/h3-5H,6H2,1-2H3,(H,20,21)(H,17,18,19)/p-1