ethyl 5-methyl-4-(5-oxidanylidene-1,4-diazepan-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-(5-oxidanylidene-1,4-diazepan-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(5-oxo-1,4-diazepan-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(5-oxo-1,4-diazepan-1-yl)-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(5-oxo-1,4-diazepan-1-yl)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(5-keto-1,4-diazepan-1-yl)-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)N4CCC(=O)NCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)N4CCC(=O)NCC4)C

InChI

InChI=1S/C22H24N4O3S2/c1-3-29-22(28)19-14(2)18-20(26-11-9-17(27)23-10-12-26)24-16(25-21(18)31-19)13-30-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,23,27)