N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-bromophenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-bromophenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-bromophenyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-bromophenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(3-bromophenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(3-bromoanilino)pyrimidin-4-yl]-piperonyl-amine Formula: C18H16BrN5O2 MolecularWeight: 414.25594

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C18H16BrN5O2/c19-12-2-1-3-13(7-12)24-18-16(20)17(22-9-23-18)21-8-11-4-5-14-15(6-11)26-10-25-14/h1-7,9H,8,10,20H2,(H2,21,22,23,24)