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

Systemtic Name: 6-(4-methoxyphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine Openeye Name: 6-(4-methoxyphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine CAS Name: 6-(4-methoxyphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine IUPAC Name: 6-(4-methoxyphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine Traditional Name: [6-(4-methoxyphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-yl]amine Formula: C20H19N5O MolecularWeight: 345.39776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(NC(C2)C4=CC=CC=C4)N=CN=C3N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(NC(C2)C4=CC=CC=C4)N=CN=C3N

InChI

InChI=1S/C20H19N5O/c1-26-15-9-7-14(8-10-15)16-11-17(13-5-3-2-4-6-13)25-20-18(24-16)19(21)22-12-23-20/h2-10,12,17H,11H2,1H3,(H3,21,22,23,25)