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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-chloranyl-2,4-dimethoxy-phenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-chloro-2,4-dimethoxy-phenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(5-chloro-2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(5-chloro-2,4-dimethoxy-anilino)pyrimidin-4-yl]-piperonyl-amine Formula: C20H20ClN5O4 MolecularWeight: 429.8569

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N)Cl)OC

InChI

InChI=1S/C20H20ClN5O4/c1-27-15-7-16(28-2)13(6-12(15)21)26-20-18(22)19(24-9-25-20)23-8-11-3-4-14-17(5-11)30-10-29-14/h3-7,9H,8,10,22H2,1-2H3,(H2,23,24,25,26)