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

Systemtic Name: 5-methyl-4-[(1-methylpyrazol-3-yl)amino]-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-[(1-methylpyrazol-3-yl)amino]-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[(1-methyl-3-pyrazolyl)amino]-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-[(1-methylpyrazol-3-yl)amino]-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[(1-methylpyrazol-3-yl)amino]-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Formula: C19H16N5O2S2- MolecularWeight: 410.49264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NC3=NN(C=C3)C)CSC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NC3=NN(C=C3)C)CSC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C19H17N5O2S2/c1-11-15-17(20-13-8-9-24(2)23-13)21-14(10-27-12-6-4-3-5-7-12)22-18(15)28-16(11)19(25)26/h3-9H,10H2,1-2H3,(H,25,26)(H,20,21,22,23)/p-1