6-(4-methylphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine

Systemtic Name: 6-(4-methylphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine Openeye Name: 8-phenyl-6-(p-tolyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine CAS Name: 6-(4-methylphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine IUPAC Name: 6-(4-methylphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine Traditional Name: [2-amino-8-phenyl-6-(p-tolyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-yl]amine Formula: C20H20N6 MolecularWeight: 344.413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(NC(C2)C4=CC=CC=C4)N=C(N=C3N)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(NC(C2)C4=CC=CC=C4)N=C(N=C3N)N

InChI

InChI=1S/C20H20N6/c1-12-7-9-14(10-8-12)15-11-16(13-5-3-2-4-6-13)24-19-17(23-15)18(21)25-20(22)26-19/h2-10,16H,11H2,1H3,(H5,21,22,24,25,26)