ethyl 2-[[3-(cycloheptylamino)-3-oxidanylidene-propyl]sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[[3-(cycloheptylamino)-3-oxidanylidene-propyl]sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[[3-(cycloheptylamino)-3-oxo-propyl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[[3-(cycloheptylamino)-3-oxopropyl]thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(cycloheptylamino)-3-oxopropyl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[[3-(cycloheptylamino)-3-keto-propyl]thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSCCC(=O)NC3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSCCC(=O)NC3CCCCCC3)C

InChI

InChI=1S/C21H29N3O4S2/c1-3-28-21(27)18-13(2)17-19(26)23-15(24-20(17)30-18)12-29-11-10-16(25)22-14-8-6-4-5-7-9-14/h14H,3-12H2,1-2H3,(H,22,25)(H,23,24,26)