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

Systemtic Name: 4-(5-bromanyl-2-methoxy-phenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Openeye Name: 4-(5-bromo-2-methoxy-phenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine CAS Name: 4-(5-bromo-2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine IUPAC Name: 4-(5-bromo-2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Traditional Name: [4-(5-bromo-2-methoxy-phenyl)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]azepin-2-yl]amine Formula: C15H17BrN4O MolecularWeight: 349.22568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=C3CCCCNC3=NC(=N2)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=C3CCCCNC3=NC(=N2)N

InChI

InChI=1S/C15H17BrN4O/c1-21-12-6-5-9(16)8-11(12)13-10-4-2-3-7-18-14(10)20-15(17)19-13/h5-6,8H,2-4,7H2,1H3,(H3,17,18,19,20)