3-heptyl-N-(2-methoxyphenyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 3-heptyl-N-(2-methoxyphenyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-heptyl-N-(2-methoxyphenyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 3-heptyl-N-(2-methoxyphenyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-heptyl-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-heptyl-4-keto-N-(2-methoxyphenyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC=CC=C3OC)C

Isomeric SMILES

CCCCCCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC=CC=C3OC)C

InChI

InChI=1S/C22H27N3O3S/c1-4-5-6-7-10-13-25-14-23-21-18(22(25)27)15(2)19(29-21)20(26)24-16-11-8-9-12-17(16)28-3/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H,24,26)