5-methyl-4-(pentan-3-ylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-4-(pentan-3-ylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-(1-ethylpropylamino)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(pentan-3-ylamino)-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-(pentan-3-ylamino)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(1-ethylpropylamino)-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Formula: C20H22N3O2S2- MolecularWeight: 400.53758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C2C(=C(SC2=NC(=N1)CSC3=CC=CC=C3)C(=O)[O-])C

Isomeric SMILES

CCC(CC)NC1=C2C(=C(SC2=NC(=N1)CSC3=CC=CC=C3)C(=O)[O-])C

InChI

InChI=1S/C20H23N3O2S2/c1-4-13(5-2)21-18-16-12(3)17(20(24)25)27-19(16)23-15(22-18)11-26-14-9-7-6-8-10-14/h6-10,13H,4-5,11H2,1-3H3,(H,24,25)(H,21,22,23)/p-1