2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylsulfanyl)-N,N-dimethyl-ethanamine

Systemtic Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylsulfanyl)-N,N-dimethyl-ethanamine Openeye Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylsulfanyl)-N,N-dimethyl-ethanamine CAS Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylthio)-N,N-dimethylethanamine IUPAC Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylsulfanyl)-N,N-dimethylethanamine Traditional Name: 2-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-ylthio)ethyl-dimethyl-amine Formula: C16H20N4S MolecularWeight: 300.4218

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NC=NC2=C1CCNC3=CC=CC=C32

Isomeric SMILES

CN(C)CCSC1=NC=NC2=C1CCNC3=CC=CC=C32

InChI

InChI=1S/C16H20N4S/c1-20(2)9-10-21-16-13-7-8-17-14-6-4-3-5-12(14)15(13)18-11-19-16/h3-6,11,17H,7-10H2,1-2H3