5-methyl-2-(phenylsulfanylmethyl)-4-(pyridin-4-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-2-(phenylsulfanylmethyl)-4-(pyridin-4-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-2-(phenylsulfanylmethyl)-4-(4-pyridylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-2-[(phenylthio)methyl]-4-(pyridin-4-ylmethylamino)-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-2-(phenylsulfanylmethyl)-4-(pyridin-4-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 5-methyl-2-[(phenylthio)methyl]-4-(4-pyridylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCC3=CC=NC=C3)CSC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC3=CC=NC=C3)CSC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H18N4O2S2/c1-13-17-19(23-11-14-7-9-22-10-8-14)24-16(12-28-15-5-3-2-4-6-15)25-20(17)29-18(13)21(26)27/h2-10H,11-12H2,1H3,(H,26,27)(H,23,24,25)