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

Systemtic Name: ethyl 5-methyl-2-(phenylsulfanylmethyl)-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-(phenylsulfanylmethyl)-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(phenylthio)methyl]-4-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(phenylsulfanylmethyl)-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-[(phenylthio)methyl]-4-pyrrolidino-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)N4CCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)N4CCCC4)C

InChI

InChI=1S/C21H23N3O2S2/c1-3-26-21(25)18-14(2)17-19(24-11-7-8-12-24)22-16(23-20(17)28-18)13-27-15-9-5-4-6-10-15/h4-6,9-10H,3,7-8,11-13H2,1-2H3