N4-(5-chloranyl-1,3-benzodioxol-4-yl)-N2-(4-methylphenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-(5-chloranyl-1,3-benzodioxol-4-yl)-N2-(4-methylphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-(p-tolyl)pyrimidine-2,4-diamine CAS Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-(4-methylphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(5-chloro-1,3-benzodioxol-4-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[2-(p-toluidino)pyrimidin-4-yl]amine Formula: C18H15ClN4O2 MolecularWeight: 354.7903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=C(C=CC4=C3OCO4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=C(C=CC4=C3OCO4)Cl

InChI

InChI=1S/C18H15ClN4O2/c1-11-2-4-12(5-3-11)21-18-20-9-8-15(23-18)22-16-13(19)6-7-14-17(16)25-10-24-14/h2-9H,10H2,1H3,(H2,20,21,22,23)