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

Systemtic Name: 4-(2-methylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Openeye Name: 4-(2-methylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine CAS Name: 4-[2-(methylthio)phenyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine IUPAC Name: 4-(2-methylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Traditional Name: [4-[2-(methylthio)phenyl]-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]azepin-2-yl]amine Formula: C15H18N4S MolecularWeight: 286.39522

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=C3CCCCNC3=NC(=N2)N

Isomeric SMILES

CSC1=CC=CC=C1C2=C3CCCCNC3=NC(=N2)N

InChI

InChI=1S/C15H18N4S/c1-20-12-8-3-2-6-10(12)13-11-7-4-5-9-17-14(11)19-15(16)18-13/h2-3,6,8H,4-5,7,9H2,1H3,(H3,16,17,18,19)