methyl 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate hydrochloride

Systemtic Name: methyl 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate hydrochloride Openeye Name: methyl 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate hydrochloride CAS Name: 2-[(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylthio)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester hydrochloride IUPAC Name: methyl 2-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylsulfanylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate hydrochloride Traditional Name: 2-[(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylthio)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester hydrochloride Formula: C17H21ClN4O3S2 MolecularWeight: 428.95664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4CCCCC4N3)C(=O)OC.Cl

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4CCCCC4N3)C(=O)OC.Cl

InChI

InChI=1S/C17H20N4O3S2.ClH/c1-8-12-14(22)20-11(21-15(12)26-13(8)16(23)24-2)7-25-17-18-9-5-3-4-6-10(9)19-17;/h9-10H,3-7H2,1-2H3,(H,18,19)(H,20,21,22);1H