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

Systemtic Name: 2-[[5-chloranyl-2-[(4-ethanoyl-1-ethyl-2-oxidanylidene-3,5-dihydro-1,4-benzodiazepin-8-yl)amino]pyrimidin-4-yl]amino]-N-methyl-benzamide Openeye Name: 2-[[2-[(4-acetyl-1-ethyl-2-oxo-3,5-dihydro-1,4-benzodiazepin-8-yl)amino]-5-chloro-pyrimidin-4-yl]amino]-N-methyl-benzamide CAS Name: 2-[[2-[(4-acetyl-1-ethyl-2-oxo-3,5-dihydro-1,4-benzodiazepin-8-yl)amino]-5-chloro-4-pyrimidinyl]amino]-N-methylbenzamide IUPAC Name: 2-[[2-[(4-acetyl-1-ethyl-2-oxo-3,5-dihydro-1,4-benzodiazepin-8-yl)amino]-5-chloropyrimidin-4-yl]amino]-N-methylbenzamide Traditional Name: 2-[[2-[(4-acetyl-1-ethyl-2-keto-3,5-dihydro-1,4-benzodiazepin-8-yl)amino]-5-chloro-pyrimidin-4-yl]amino]-N-methyl-benzamide Formula: C25H26ClN7O3 MolecularWeight: 507.97204

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CN(CC2=C1C=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)C(=O)C

Isomeric SMILES

CCN1C(=O)CN(CC2=C1C=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)C(=O)C

InChI

InChI=1S/C25H26ClN7O3/c1-4-33-21-11-17(10-9-16(21)13-32(15(2)34)14-22(33)35)29-25-28-12-19(26)23(31-25)30-20-8-6-5-7-18(20)24(36)27-3/h5-12H,4,13-14H2,1-3H3,(H,27,36)(H2,28,29,30,31)