N4-(1,3-benzodioxol-5-yl)-N6-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2N)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N5O2/c1-12-2-4-13(5-3-12)9-21-18-17(20)19(23-10-22-18)24-14-6-7-15-16(8-14)26-11-25-15/h2-8,10H,9,11,20H2,1H3,(H2,21,22,23,24)