N4-(1,3-benzodioxol-5-yl)-6-(4-chloranyl-3-methyl-phenoxy)pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-6-(4-chloranyl-3-methyl-phenoxy)pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-6-(4-chloro-3-methyl-phenoxy)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-yl)-6-(4-chloro-3-methylphenoxy)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-(4-chloro-3-methylphenoxy)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-chloro-3-methyl-phenoxy)pyrimidin-4-yl]-(1,3-benzodioxol-5-yl)amine Formula: C18H15ClN4O3 MolecularWeight: 370.7897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C18H15ClN4O3/c1-10-6-12(3-4-13(10)19)26-18-16(20)17(21-8-22-18)23-11-2-5-14-15(7-11)25-9-24-14/h2-8H,9,20H2,1H3,(H,21,22,23)