4-pyrazin-2-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione

Systemtic Name: 4-pyrazin-2-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione Openeye Name: 4-pyrazin-2-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione CAS Name: 4-(2-pyrazinyl)-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione IUPAC Name: 4-pyrazin-2-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione Traditional Name: 4-pyrazin-2-yl-1,3,5,6,7,8-hexahydropyrimid[4,5-b]azepine-2-thione Formula: C12H13N5S MolecularWeight: 259.33012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NC(=S)N2)C3=NC=CN=C3)C1

Isomeric SMILES

C1CCN=C2C(=C(NC(=S)N2)C3=NC=CN=C3)C1

InChI

InChI=1S/C12H13N5S/c18-12-16-10(9-7-13-5-6-14-9)8-3-1-2-4-15-11(8)17-12/h5-7H,1-4H2,(H2,15,16,17,18)