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

Systemtic Name: 11-(2-piperazin-1-ylethanoyl)-6H-pyrimido[4,5-b][1,5]benzodiazepin-5-one Openeye Name: 11-(2-piperazin-1-ylacetyl)-6H-pyrimido[4,5-b][1,5]benzodiazepin-5-one CAS Name: 11-[1-oxo-2-(1-piperazinyl)ethyl]-6H-pyrimido[4,5-b][1,5]benzodiazepin-5-one IUPAC Name: 11-(2-piperazin-1-ylacetyl)-6H-pyrimido[4,5-b][1,5]benzodiazepin-5-one Traditional Name: 11-(2-piperazinoacetyl)-6H-pyrimido[4,5-b][1,5]benzodiazepin-5-one Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC(=O)N2C3=CC=CC=C3NC(=O)C4=CN=CN=C42

Isomeric SMILES

C1CN(CCN1)CC(=O)N2C3=CC=CC=C3NC(=O)C4=CN=CN=C42

InChI

InChI=1S/C17H18N6O2/c24-15(10-22-7-5-18-6-8-22)23-14-4-2-1-3-13(14)21-17(25)12-9-19-11-20-16(12)23/h1-4,9,11,18H,5-8,10H2,(H,21,25)