6-(4-chloranyl-3-methyl-phenoxy)-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-N4-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Openeye Name: 6-(4-chloro-3-methyl-phenoxy)-N4-(3-pyridylmethyl)pyrimidine-4,5-diamine CAS Name: 6-(4-chloro-3-methylphenoxy)-N4-(3-pyridinylmethyl)pyrimidine-4,5-diamine IUPAC Name: 6-(4-chloro-3-methylphenoxy)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-chloro-3-methyl-phenoxy)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C17H16ClN5O MolecularWeight: 341.79484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2N)NCC3=CN=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2N)NCC3=CN=CC=C3)Cl

InChI

InChI=1S/C17H16ClN5O/c1-11-7-13(4-5-14(11)18)24-17-15(19)16(22-10-23-17)21-9-12-3-2-6-20-8-12/h2-8,10H,9,19H2,1H3,(H,21,22,23)