butanedioic acid; 6-methyl-3-methylsulfanyl-2-pyridin-2-yl-4H-pyrimidine

Systemtic Name: butanedioic acid; 6-methyl-3-methylsulfanyl-2-pyridin-2-yl-4H-pyrimidine Openeye Name: 6-methyl-3-methylsulfanyl-2-(2-pyridyl)-4H-pyrimidine; succinic acid CAS Name: butanedioic acid; 6-methyl-3-(methylthio)-2-(2-pyridinyl)-4H-pyrimidine IUPAC Name: butanedioic acid; 6-methyl-3-methylsulfanyl-2-pyridin-2-yl-4H-pyrimidine Traditional Name: 6-methyl-3-(methylthio)-2-(2-pyridyl)-4H-pyrimidine; succinic acid Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCN(C(=N1)C2=CC=CC=N2)SC.C(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CCN(C(=N1)C2=CC=CC=N2)SC.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C11H13N3S.C4H6O4/c1-9-6-8-14(15-2)11(13-9)10-5-3-4-7-12-10;5-3(6)1-2-4(7)8/h3-7H,8H2,1-2H3;1-2H2,(H,5,6)(H,7,8)