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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzothiazol-2-ylamino)pyrimidin-4-yl]-piperonyl-amine Formula: C19H16N6O2S MolecularWeight: 392.43434

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC(=C3N)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C19H16N6O2S/c20-16-17(21-8-11-5-6-13-14(7-11)27-10-26-13)22-9-23-18(16)25-19-24-12-3-1-2-4-15(12)28-19/h1-7,9H,8,10,20H2,(H2,21,22,23,24,25)