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

Systemtic Name: N4-(1,3-benzodioxol-5-yl)-N6-(4-methylphenyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzodioxol-5-yl)-N6-(p-tolyl)pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzodioxol-5-yl)-N6-(4-methylphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(p-tolyl)amine Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C18H17N5O2/c1-11-2-4-12(5-3-11)22-17-16(19)18(21-9-20-17)23-13-6-7-14-15(8-13)25-10-24-14/h2-9H,10,19H2,1H3,(H2,20,21,22,23)