2-methyl-5-methylsulfanyl-4-[(phenylmethyl)amino]thieno[3,4-d]pyrimidine-7-carboxylic acid

Systemtic Name: 2-methyl-5-methylsulfanyl-4-[(phenylmethyl)amino]thieno[3,4-d]pyrimidine-7-carboxylic acid Openeye Name: 4-(benzylamino)-2-methyl-5-methylsulfanyl-thieno[3,4-d]pyrimidine-7-carboxylic acid CAS Name: 2-methyl-5-(methylthio)-4-[(phenylmethyl)amino]-7-thieno[3,4-d]pyrimidinecarboxylic acid IUPAC Name: 4-(benzylamino)-2-methyl-5-methylsulfanylthieno[3,4-d]pyrimidine-7-carboxylic acid Traditional Name: 4-(benzylamino)-2-methyl-5-(methylthio)thieno[3,4-d]pyrimidine-7-carboxylic acid Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(SC(=C2C(=N1)NCC3=CC=CC=C3)SC)C(=O)O

Isomeric SMILES

CC1=NC2=C(SC(=C2C(=N1)NCC3=CC=CC=C3)SC)C(=O)O

InChI

InChI=1S/C16H15N3O2S2/c1-9-18-12-11(16(22-2)23-13(12)15(20)21)14(19-9)17-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,20,21)(H,17,18,19)