6-(4-bromophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine

Systemtic Name: 6-(4-bromophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine Openeye Name: 6-(4-bromophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine CAS Name: 6-(4-bromophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine IUPAC Name: 6-(4-bromophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine Traditional Name: [6-(4-bromophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-yl]amine Formula: C19H16BrN5 MolecularWeight: 394.26784

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=C(C(=NC=N2)N)N=C1C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1C(NC2=C(C(=NC=N2)N)N=C1C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C19H16BrN5/c20-14-8-6-13(7-9-14)15-10-16(12-4-2-1-3-5-12)25-19-17(24-15)18(21)22-11-23-19/h1-9,11,16H,10H2,(H3,21,22,23,25)