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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-chloranyl-2,4-dimethoxy-phenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-chloro-2,4-dimethoxy-phenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(5-chloro-2,4-dimethoxy-phenyl)amine Formula: C19H18ClN5O4 MolecularWeight: 415.83032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4)Cl)OC

InChI

InChI=1S/C19H18ClN5O4/c1-26-14-7-15(27-2)12(6-11(14)20)25-19-17(21)18(22-8-23-19)24-10-3-4-13-16(5-10)29-9-28-13/h3-8H,9,21H2,1-2H3,(H2,22,23,24,25)