N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methoxy-pyrimidin-2-amine

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methoxy-pyrimidin-2-amine Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methoxy-pyrimidin-2-amine CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methoxy-2-pyrimidinamine IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-methoxypyrimidin-2-amine Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(4-methoxypyrimidin-2-yl)amine Formula: C15H16ClN3O3 MolecularWeight: 321.75884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=NC(=NC=C1)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C15H16ClN3O3/c1-20-13-3-4-17-15(19-13)18-9-10-7-11(16)14-12(8-10)21-5-2-6-22-14/h3-4,7-8H,2,5-6,9H2,1H3,(H,17,18,19)