N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-chloranyl-2-methyl-phenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-chloranyl-2-methyl-phenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-chloro-2-methyl-phenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(4-chloro-2-methylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(4-chloro-2-methyl-anilino)pyrimidin-4-yl]-piperonyl-amine Formula: C19H18ClN5O2 MolecularWeight: 383.83152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C19H18ClN5O2/c1-11-6-13(20)3-4-14(11)25-19-17(21)18(23-9-24-19)22-8-12-2-5-15-16(7-12)27-10-26-15/h2-7,9H,8,10,21H2,1H3,(H2,22,23,24,25)