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

Systemtic Name: 4-(methylsulfanylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Openeye Name: 4-(methylsulfanylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine CAS Name: 4-[(methylthio)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine IUPAC Name: 4-(methylsulfanylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Traditional Name: [4-[(methylthio)methyl]-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]azepin-2-yl]amine Formula: C10H16N4S MolecularWeight: 224.32584

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C2CCCCNC2=NC(=N1)N

Isomeric SMILES

CSCC1=C2CCCCNC2=NC(=N1)N

InChI

InChI=1S/C10H16N4S/c1-15-6-8-7-4-2-3-5-12-9(7)14-10(11)13-8/h2-6H2,1H3,(H3,11,12,13,14)