6-butyl-11-[2-(4-methylpiperazin-1-yl)ethanoyl]pyrimido[4,5-b][1,5]benzodiazepin-5-one

Systemtic Name: 6-butyl-11-[2-(4-methylpiperazin-1-yl)ethanoyl]pyrimido[4,5-b][1,5]benzodiazepin-5-one Openeye Name: 6-butyl-11-[2-(4-methylpiperazin-1-yl)acetyl]pyrimido[4,5-b][1,5]benzodiazepin-5-one CAS Name: 6-butyl-11-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-5-pyrimido[4,5-b][1,5]benzodiazepinone IUPAC Name: 6-butyl-11-[2-(4-methylpiperazin-1-yl)acetyl]pyrimido[4,5-b][1,5]benzodiazepin-5-one Traditional Name: 6-butyl-11-[2-(4-methylpiperazino)acetyl]pyrimido[4,5-b][1,5]benzodiazepin-5-one Formula: C22H28N6O2 MolecularWeight: 408.49672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N(C3=NC=NC=C3C1=O)C(=O)CN4CCN(CC4)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2N(C3=NC=NC=C3C1=O)C(=O)CN4CCN(CC4)C

InChI

InChI=1S/C22H28N6O2/c1-3-4-9-27-18-7-5-6-8-19(18)28(21-17(22(27)30)14-23-16-24-21)20(29)15-26-12-10-25(2)11-13-26/h5-8,14,16H,3-4,9-13,15H2,1-2H3