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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-chloranyl-2-methoxy-phenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-chloro-2-methoxy-phenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(5-chloro-2-methoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(5-chloro-2-methoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(5-chloro-2-methoxy-anilino)pyrimidin-4-yl]-piperonyl-amine Formula: C19H18ClN5O3 MolecularWeight: 399.83092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C19H18ClN5O3/c1-26-14-5-3-12(20)7-13(14)25-19-17(21)18(23-9-24-19)22-8-11-2-4-15-16(6-11)28-10-27-15/h2-7,9H,8,10,21H2,1H3,(H2,22,23,24,25)