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

Systemtic Name: 3-[(2-chlorophenyl)methyl]-5-methyl-N-octyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-[(2-chlorophenyl)methyl]-5-methyl-N-octyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 3-[(2-chlorophenyl)methyl]-5-methyl-N-octyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-5-methyl-N-octyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-(2-chlorobenzyl)-4-keto-5-methyl-N-octyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H28ClN3O2S MolecularWeight: 446.00532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CCCCCCCCNC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C23H28ClN3O2S/c1-3-4-5-6-7-10-13-25-21(28)20-16(2)19-22(30-20)26-15-27(23(19)29)14-17-11-8-9-12-18(17)24/h8-9,11-12,15H,3-7,10,13-14H2,1-2H3,(H,25,28)