N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrimidin-2-amine

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrimidin-2-amine Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrimidin-2-amine CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrimidinamine IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrimidin-2-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(2-pyrimidyl)amine Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3=NC=CC=N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=NC=CC=N3)OC1

InChI

InChI=1S/C13H13N3O2/c1-5-14-13(15-6-1)16-10-3-4-11-12(9-10)18-8-2-7-17-11/h1,3-6,9H,2,7-8H2,(H,14,15,16)