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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(2-ethoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-o-phenetyl-amine Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N5O3/c1-2-25-14-6-4-3-5-13(14)24-19-17(20)18(21-10-22-19)23-12-7-8-15-16(9-12)27-11-26-15/h3-10H,2,11,20H2,1H3,(H2,21,22,23,24)