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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C19H19N5O2 MolecularWeight: 349.38646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C19H19N5O2/c1-11-5-12(2)7-14(6-11)24-19-17(20)18(21-9-22-19)23-13-3-4-15-16(8-13)26-10-25-15/h3-9H,10,20H2,1-2H3,(H2,21,22,23,24)