4-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine

Systemtic Name: 4-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Openeye Name: 4-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine CAS Name: 4-[2-(methylthio)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine IUPAC Name: 4-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Traditional Name: [4-[2-(methylthio)ethyl]-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]azepin-2-yl]amine Formula: C11H18N4S MolecularWeight: 238.35242

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1=C2CCCCNC2=NC(=N1)N

Isomeric SMILES

CSCCC1=C2CCCCNC2=NC(=N1)N

InChI

InChI=1S/C11H18N4S/c1-16-7-5-9-8-4-2-3-6-13-10(8)15-11(12)14-9/h2-7H2,1H3,(H3,12,13,14,15)