N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(m-anisidino)pyrimidin-4-yl]-piperonyl-amine Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O3/c1-25-14-4-2-3-13(8-14)24-19-17(20)18(22-10-23-19)21-9-12-5-6-15-16(7-12)27-11-26-15/h2-8,10H,9,11,20H2,1H3,(H2,21,22,23,24)