(1E)-1-[1-azanyl-2-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]propylidene]urea

Systemtic Name: (1E)-1-[1-azanyl-2-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]propylidene]urea Openeye Name: (E)-[1-amino-2-[[4-(dimethylaminomethyl)-2-pyridyl]methylsulfanyl]propylidene]urea CAS Name: (E)-[1-amino-2-[[4-(dimethylaminomethyl)-2-pyridinyl]methylthio]propylidene]urea IUPAC Name: (E)-[1-amino-2-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]propylidene]urea Traditional Name: (E)-[1-amino-2-[[4-(dimethylaminomethyl)-2-pyridyl]methylthio]propylidene]urea Formula: C13H21N5OS MolecularWeight: 295.40374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=NC(=O)N)N)SCC1=NC=CC(=C1)CN(C)C

Isomeric SMILES

CC(/C(=N\C(=O)N)/N)SCC1=NC=CC(=C1)CN(C)C

InChI

InChI=1S/C13H21N5OS/c1-9(12(14)17-13(15)19)20-8-11-6-10(4-5-16-11)7-18(2)3/h4-6,9H,7-8H2,1-3H3,(H4,14,15,17,19)