N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)NCC4=CN=CC=C4)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)NCC4=CN=CC=C4)N

InChI

InChI=1S/C18H18N6O2/c19-16-17(21-10-12-2-1-5-20-9-12)22-11-23-18(16)24-13-3-4-14-15(8-13)26-7-6-25-14/h1-5,8-9,11H,6-7,10,19H2,(H2,21,22,23,24)