(E)-but-2-enedioic acid; N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

Systemtic Name: (E)-but-2-enedioic acid; N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine Openeye Name: fumaric acid; N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine CAS Name: (E)-2-butenedioic acid; N-[2-(1H-indol-3-ylthio)ethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine IUPAC Name: (E)-but-2-enedioic acid; N-[2-(1H-indol-3-ylsulfanyl)ethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine Traditional Name: fumaric acid; 2-(1H-indol-3-ylthio)ethyl-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amine Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN=C1NCCSC2=CNC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCCN=C1NCCSC2=CNC3=CC=CC=C32.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H20N4S.C4H4O4/c1-19-9-4-7-16-15(19)17-8-10-20-14-11-18-13-6-3-2-5-12(13)14;5-3(6)1-2-4(7)8/h2-3,5-6,11,18H,4,7-10H2,1H3,(H,16,17);1-2H,(H,5,6)(H,7,8)/b;2-1+