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

Systemtic Name: 6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine Openeye Name: 6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine CAS Name: 6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine IUPAC Name: 6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine Traditional Name: [2-amino-6-(4-methoxyphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-yl]amine Formula: C14H16N6O MolecularWeight: 284.31644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(NCC2)N=C(N=C3N)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(NCC2)N=C(N=C3N)N

InChI

InChI=1S/C14H16N6O/c1-21-9-4-2-8(3-5-9)10-6-7-17-13-11(18-10)12(15)19-14(16)20-13/h2-5H,6-7H2,1H3,(H5,15,16,17,19,20)