3-methyl-7-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione

Systemtic Name: 3-methyl-7-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione Openeye Name: 3-methyl-7-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione CAS Name: 3-methyl-7-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione IUPAC Name: 3-methyl-7-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione Traditional Name: 3-methyl-7-[4-(2-pyrimidyl)piperazino]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-quinone Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4)NC1=O

Isomeric SMILES

CC1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=NC=CC=N4)NC1=O

InChI

InChI=1S/C18H20N6O4S/c1-12-16(25)21-14-4-3-13(11-15(14)22-17(12)26)29(27,28)24-9-7-23(8-10-24)18-19-5-2-6-20-18/h2-6,11-12H,7-10H2,1H3,(H,21,25)(H,22,26)