4-[2-(benzimidazol-1-yl)-6-morpholin-4-yl-pyrimidin-4-yl]-2-methyl-1,4-oxazepane

Systemtic Name: 4-[2-(benzimidazol-1-yl)-6-morpholin-4-yl-pyrimidin-4-yl]-2-methyl-1,4-oxazepane Openeye Name: 4-[2-(benzimidazol-1-yl)-6-morpholino-pyrimidin-4-yl]-2-methyl-1,4-oxazepane CAS Name: 4-[2-(1-benzimidazolyl)-6-(4-morpholinyl)-4-pyrimidinyl]-2-methyl-1,4-oxazepane IUPAC Name: 4-[2-(benzimidazol-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-2-methyl-1,4-oxazepane Traditional Name: 4-[2-(benzimidazol-1-yl)-6-morpholino-pyrimidin-4-yl]-2-methyl-1,4-oxazepane Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCCO1)C2=CC(=NC(=N2)N3C=NC4=CC=CC=C43)N5CCOCC5

Isomeric SMILES

CC1CN(CCCO1)C2=CC(=NC(=N2)N3C=NC4=CC=CC=C43)N5CCOCC5

InChI

InChI=1S/C21H26N6O2/c1-16-14-26(7-4-10-29-16)20-13-19(25-8-11-28-12-9-25)23-21(24-20)27-15-22-17-5-2-3-6-18(17)27/h2-3,5-6,13,15-16H,4,7-12,14H2,1H3