butanedioic acid; 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine

Systemtic Name: butanedioic acid; 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine Openeye Name: 4,6-dimethyl-2-[2-(1-piperidyl)ethylsulfanyl]pyrimidine; succinic acid CAS Name: butanedioic acid; 4,6-dimethyl-2-[2-(1-piperidinyl)ethylthio]pyrimidine IUPAC Name: butanedioic acid; 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyrimidine Traditional Name: 4,6-dimethyl-2-(2-piperidinoethylthio)pyrimidine; succinic acid Formula: C17H27N3O4S MolecularWeight: 369.47898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCN2CCCCC2)C.C(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)SCCN2CCCCC2)C.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H21N3S.C4H6O4/c1-11-10-12(2)15-13(14-11)17-9-8-16-6-4-3-5-7-16;5-3(6)1-2-4(7)8/h10H,3-9H2,1-2H3;1-2H2,(H,5,6)(H,7,8)