[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: [2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: [2-(1-methylhexylamino)-2-oxo-ethyl] 3,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid [2-(heptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(heptan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-keto-2-(1-methylhexylamino)ethyl] ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=C(C2=C(S1)N=CN(C2=O)C)C

Isomeric SMILES

CCCCCC(C)NC(=O)COC(=O)C1=C(C2=C(S1)N=CN(C2=O)C)C

InChI

InChI=1S/C18H25N3O4S/c1-5-6-7-8-11(2)20-13(22)9-25-18(24)15-12(3)14-16(26-15)19-10-21(4)17(14)23/h10-11H,5-9H2,1-4H3,(H,20,22)