6-butyl-11-(2-morpholin-4-ylethanoyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one

Systemtic Name: 6-butyl-11-(2-morpholin-4-ylethanoyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Openeye Name: 6-butyl-11-(2-morpholinoacetyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one CAS Name: 6-butyl-11-[2-(4-morpholinyl)-1-oxoethyl]-5-pyrimido[4,5-b][1,5]benzodiazepinone IUPAC Name: 6-butyl-11-(2-morpholin-4-ylacetyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Traditional Name: 6-butyl-11-(2-morpholinoacetyl)pyrimido[4,5-b][1,5]benzodiazepin-5-one Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N(C3=NC=NC=C3C1=O)C(=O)CN4CCOCC4

Isomeric SMILES

CCCCN1C2=CC=CC=C2N(C3=NC=NC=C3C1=O)C(=O)CN4CCOCC4

InChI

InChI=1S/C21H25N5O3/c1-2-3-8-25-17-6-4-5-7-18(17)26(19(27)14-24-9-11-29-12-10-24)20-16(21(25)28)13-22-15-23-20/h4-7,13,15H,2-3,8-12,14H2,1H3