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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCCN2C=NC3=C(C2=O)C(=C(S3)C(=O)[O-])C

InChI

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