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

Systemtic Name: 3-heptyl-5-methyl-4-oxidanylidene-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-heptyl-5-methyl-4-oxo-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 3-heptyl-5-methyl-4-oxo-N-phenyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-heptyl-5-methyl-4-oxo-N-phenylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-heptyl-4-keto-5-methyl-N-phenyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H25N3O2S/c1-3-4-5-6-10-13-24-14-22-20-17(21(24)26)15(2)18(27-20)19(25)23-16-11-8-7-9-12-16/h7-9,11-12,14H,3-6,10,13H2,1-2H3,(H,23,25)