methyl 2-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(2-p-phenetylpyrrolidino)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2CC3=NC4=C(C(=C(S4)C(=O)OC)C)C(=O)N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2CC3=NC4=C(C(=C(S4)C(=O)OC)C)C(=O)N3

InChI

InChI=1S/C22H25N3O4S/c1-4-29-15-9-7-14(8-10-15)16-6-5-11-25(16)12-17-23-20(26)18-13(2)19(22(27)28-3)30-21(18)24-17/h7-10,16H,4-6,11-12H2,1-3H3,(H,23,24,26)