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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=CC=CC=C2N(C3=NC=NC=C3C1=O)C(=O)CN4CCN(CC4)C

Isomeric SMILES

CCC(C)N1C2=CC=CC=C2N(C3=NC=NC=C3C1=O)C(=O)CN4CCN(CC4)C

InChI

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