3-[3-(4-ethylphenoxy)propyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 3-[3-(4-ethylphenoxy)propyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-[3-(4-ethylphenoxy)propyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[3-(4-ethylphenoxy)propyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 3-[3-(4-ethylphenoxy)propyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[3-(4-ethylphenoxy)propyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C19H19N2O4S- MolecularWeight: 371.43016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)OCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)[O-])C

InChI

InChI=1S/C19H20N2O4S/c1-3-13-5-7-14(8-6-13)25-10-4-9-21-11-20-17-15(18(21)22)12(2)16(26-17)19(23)24/h5-8,11H,3-4,9-10H2,1-2H3,(H,23,24)/p-1