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

Systemtic Name: butanedioic acid; 4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Openeye Name: 4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine; succinic acid CAS Name: butanedioic acid; 4,6-dimethyl-2-[2-(1-pyrrolidinyl)ethylthio]pyrimidine IUPAC Name: butanedioic acid; 4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine Traditional Name: 4,6-dimethyl-2-(2-pyrrolidinoethylthio)pyrimidine; succinic acid Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCN2CCCC2)C.C(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)SCCN2CCCC2)C.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H19N3S.C4H6O4/c1-10-9-11(2)14-12(13-10)16-8-7-15-5-3-4-6-15;5-3(6)1-2-4(7)8/h9H,3-8H2,1-2H3;1-2H2,(H,5,6)(H,7,8)