5-methylsulfanyl-2-[(E)-2-pyridin-4-ylprop-1-enyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 5-methylsulfanyl-2-[(E)-2-pyridin-4-ylprop-1-enyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 5-methylsulfanyl-2-[(E)-2-(4-pyridyl)prop-1-enyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 5-(methylthio)-2-[(E)-2-pyridin-4-ylprop-1-enyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 5-methylsulfanyl-2-[(E)-2-pyridin-4-ylprop-1-enyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 5-(methylthio)-2-[(E)-2-(4-pyridyl)prop-1-enyl]-1,4,5,6-tetrahydropyrimidine Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=NCC(CN1)SC)C2=CC=NC=C2

Isomeric SMILES

C/C(=C\C1=NCC(CN1)SC)/C2=CC=NC=C2

InChI

InChI=1S/C13H17N3S/c1-10(11-3-5-14-6-4-11)7-13-15-8-12(17-2)9-16-13/h3-7,12H,8-9H2,1-2H3,(H,15,16)/b10-7+