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

Systemtic Name: 11-[2-(4-methylpiperazin-1-yl)ethanoyl]-6-propan-2-yl-pyrimido[4,5-b][1,5]benzodiazepin-5-one Openeye Name: 6-isopropyl-11-[2-(4-methylpiperazin-1-yl)acetyl]pyrimido[4,5-b][1,5]benzodiazepin-5-one CAS Name: 11-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-6-propan-2-yl-5-pyrimido[4,5-b][1,5]benzodiazepinone IUPAC Name: 11-[2-(4-methylpiperazin-1-yl)acetyl]-6-propan-2-ylpyrimido[4,5-b][1,5]benzodiazepin-5-one Traditional Name: 6-isopropyl-11-[2-(4-methylpiperazino)acetyl]pyrimido[4,5-b][1,5]benzodiazepin-5-one Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O2/c1-15(2)26-17-6-4-5-7-18(17)27(20-16(21(26)29)12-22-14-23-20)19(28)13-25-10-8-24(3)9-11-25/h4-7,12,14-15H,8-11,13H2,1-3H3