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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(2,4-dimethoxyphenyl)amine Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C19H19N5O4/c1-25-12-4-5-13(15(8-12)26-2)24-19-17(20)18(21-9-22-19)23-11-3-6-14-16(7-11)28-10-27-14/h3-9H,10,20H2,1-2H3,(H2,21,22,23,24)