4-[[1-ethyl-2,4-bis(oxidanylidene)thieno[3,2-d]pyrimidin-3-yl]methyl]-N-pentyl-cyclohexane-1-carboxamide

Systemtic Name: 4-[[1-ethyl-2,4-bis(oxidanylidene)thieno[3,2-d]pyrimidin-3-yl]methyl]-N-pentyl-cyclohexane-1-carboxamide Openeye Name: 4-[(1-ethyl-2,4-dioxo-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-pentyl-cyclohexanecarboxamide CAS Name: 4-[(1-ethyl-2,4-dioxo-3-thieno[3,2-d]pyrimidinyl)methyl]-N-pentyl-1-cyclohexanecarboxamide IUPAC Name: 4-[(1-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-3-yl)methyl]-N-pentylcyclohexane-1-carboxamide Traditional Name: N-amyl-4-[(1-ethyl-2,4-diketo-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexanecarboxamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1CCC(CC1)CN2C(=O)C3=C(C=CS3)N(C2=O)CC

Isomeric SMILES

CCCCCNC(=O)C1CCC(CC1)CN2C(=O)C3=C(C=CS3)N(C2=O)CC

InChI

InChI=1S/C21H31N3O3S/c1-3-5-6-12-22-19(25)16-9-7-15(8-10-16)14-24-20(26)18-17(11-13-28-18)23(4-2)21(24)27/h11,13,15-16H,3-10,12,14H2,1-2H3,(H,22,25)