6-(3,5-dimethylphenoxy)-N4-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine

Systemtic Name: 6-(3,5-dimethylphenoxy)-N4-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine Openeye Name: 6-(3,5-dimethylphenoxy)-N4-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine CAS Name: 6-(3,5-dimethylphenoxy)-N4-[3-(1-imidazolyl)propyl]pyrimidine-4,5-diamine IUPAC Name: 6-(3,5-dimethylphenoxy)-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)NCCCN3C=CN=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)NCCCN3C=CN=C3)C

InChI

InChI=1S/C18H22N6O/c1-13-8-14(2)10-15(9-13)25-18-16(19)17(22-11-23-18)21-4-3-6-24-7-5-20-12-24/h5,7-12H,3-4,6,19H2,1-2H3,(H,21,22,23)