2-[6-ethyl-3-(3-methylbutyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide

Systemtic Name: 2-[6-ethyl-3-(3-methylbutyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Openeye Name: 2-(6-ethyl-3-isopentyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide CAS Name: 2-[[6-ethyl-3-(3-methylbutyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]-N-(methylcarbamoyl)propanamide IUPAC Name: 2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Traditional Name: 2-[(6-ethyl-3-isoamyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(methylcarbamoyl)propionamide Formula: C18H26N4O3S2 MolecularWeight: 410.55404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCC(C)C)SC(C)C(=O)NC(=O)NC

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCC(C)C)SC(C)C(=O)NC(=O)NC

InChI

InChI=1S/C18H26N4O3S2/c1-6-12-9-13-15(27-12)21-18(22(16(13)24)8-7-10(2)3)26-11(4)14(23)20-17(25)19-5/h9-11H,6-8H2,1-5H3,(H2,19,20,23,25)