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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-chloranyl-4-methyl-phenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-chloro-4-methyl-phenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-chloro-4-methylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(3-chloro-4-methylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-chloro-4-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=C(C=C1)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N)Cl

Isomeric SMILES

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

InChI

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