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

Systemtic Name: 5-methyl-3-[3-(3-methylphenoxy)propyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-3-[3-(3-methylphenoxy)propyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[3-(3-methylphenoxy)propyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-3-[3-(3-methylphenoxy)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-[3-(3-methylphenoxy)propyl]thieno[2,3-d]pyrimidine-6-carboxylate Formula: C18H17N2O4S- MolecularWeight: 357.40358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)[O-])C

InChI

InChI=1S/C18H18N2O4S/c1-11-5-3-6-13(9-11)24-8-4-7-20-10-19-16-14(17(20)21)12(2)15(25-16)18(22)23/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,22,23)/p-1