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

Systemtic Name: 4-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Openeye Name: 4-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine CAS Name: 4-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine IUPAC Name: 4-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-amine Traditional Name: [4-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-pyrimid[4,5-b]azepin-2-yl]amine Formula: C14H15BrN4 MolecularWeight: 319.1997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN4/c15-10-5-3-4-9(8-10)12-11-6-1-2-7-17-13(11)19-14(16)18-12/h3-5,8H,1-2,6-7H2,(H3,16,17,18,19)