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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-chloranylpyridin-3-yl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-chloro-3-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(2-chloropyridin-3-yl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(2-chloro-3-pyridyl)amine Formula: C16H13ClN6O2 MolecularWeight: 356.76642

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=C(N=CC=C4)Cl)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=C(N=CC=C4)Cl)N

InChI

InChI=1S/C16H13ClN6O2/c17-14-10(2-1-5-19-14)23-16-13(18)15(20-7-21-16)22-9-3-4-11-12(6-9)25-8-24-11/h1-7H,8,18H2,(H2,20,21,22,23)