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

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[(2-phenylpyrrolidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-oxo-2-[(2-phenylpyrrolidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(2-phenyl-1-pyrrolidinyl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-oxo-2-[(2-phenylpyrrolidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(2-phenylpyrrolidino)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCCC3C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCCC3C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C20H21N3O3S/c1-12-16-18(24)21-15(22-19(16)27-17(12)20(25)26-2)11-23-10-6-9-14(23)13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-11H2,1-2H3,(H,21,22,24)