2-[[5-chloranyl-2-[(4-methyl-2-oxidanylidene-3,5-dihydro-1H-1,4-benzodiazepin-8-yl)amino]pyrimidin-4-yl]amino]-N-methyl-benzamide

Systemtic Name: 2-[[5-chloranyl-2-[(4-methyl-2-oxidanylidene-3,5-dihydro-1H-1,4-benzodiazepin-8-yl)amino]pyrimidin-4-yl]amino]-N-methyl-benzamide Openeye Name: 2-[[5-chloro-2-[(4-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-8-yl)amino]pyrimidin-4-yl]amino]-N-methyl-benzamide CAS Name: 2-[[5-chloro-2-[(4-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-8-yl)amino]-4-pyrimidinyl]amino]-N-methylbenzamide IUPAC Name: 2-[[5-chloro-2-[(4-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-8-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzamide Traditional Name: 2-[[5-chloro-2-[(2-keto-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-8-yl)amino]pyrimidin-4-yl]amino]-N-methyl-benzamide Formula: C22H22ClN7O2 MolecularWeight: 451.90878

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC4=C(CN(CC(=O)N4)C)C=C3

Isomeric SMILES

CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC4=C(CN(CC(=O)N4)C)C=C3

InChI

InChI=1S/C22H22ClN7O2/c1-24-21(32)15-5-3-4-6-17(15)28-20-16(23)10-25-22(29-20)26-14-8-7-13-11-30(2)12-19(31)27-18(13)9-14/h3-10H,11-12H2,1-2H3,(H,24,32)(H,27,31)(H2,25,26,28,29)