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

Systemtic Name: N4-(5-chloranyl-1,3-benzodioxol-4-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine CAS Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(5-chloro-1,3-benzodioxol-4-yl)-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amine Formula: C20H19ClN4O5 MolecularWeight: 430.84166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)NC3=C(C=CC4=C3OCO4)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=CC(=N2)NC3=C(C=CC4=C3OCO4)Cl

InChI

InChI=1S/C20H19ClN4O5/c1-26-14-8-11(9-15(27-2)18(14)28-3)23-20-22-7-6-16(25-20)24-17-12(21)4-5-13-19(17)30-10-29-13/h4-9H,10H2,1-3H3,(H2,22,23,24,25)