4-(5-bromanylpyridin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine

Systemtic Name: 4-(5-bromanylpyridin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Openeye Name: 4-(5-bromo-3-pyridyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine CAS Name: 4-(5-bromo-3-pyridinyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine IUPAC Name: 4-(5-bromopyridin-3-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Traditional Name: [4-(5-bromo-3-pyridyl)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]azepin-2-yl]amine Formula: C13H14BrN5 MolecularWeight: 320.18776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC2=NC(=NC(=C2C1)C3=CC(=CN=C3)Br)N

Isomeric SMILES

C1CCNC2=NC(=NC(=C2C1)C3=CC(=CN=C3)Br)N

InChI

InChI=1S/C13H14BrN5/c14-9-5-8(6-16-7-9)11-10-3-1-2-4-17-12(10)19-13(15)18-11/h5-7H,1-4H2,(H3,15,17,18,19)