N6-(3-imidazol-1-ylpropyl)-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-[3-(1-imidazolyl)propyl]-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C17H21N7O MolecularWeight: 339.39494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NCCCN3C=CN=C3)N

InChI

InChI=1S/C17H21N7O/c1-25-14-5-2-4-13(10-14)23-17-15(18)16(21-11-22-17)20-6-3-8-24-9-7-19-12-24/h2,4-5,7,9-12H,3,6,8,18H2,1H3,(H2,20,21,22,23)