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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-pyridin-3-yl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(3-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(3-pyridinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-(3-pyridyl)amine Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O2/c17-14-15(21-10-3-4-12-13(6-10)24-9-23-12)19-8-20-16(14)22-11-2-1-5-18-7-11/h1-8H,9,17H2,(H2,19,20,21,22)