(3S)-N-[3-[[4-(6-bromanyl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]-3-oxidanyl-butanamide

Systemtic Name: (3S)-N-[3-[[4-(6-bromanyl-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]-3-oxidanyl-butanamide Openeye Name: (3S)-N-[3-[[4-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]-3-hydroxy-butanamide CAS Name: (3S)-N-[3-[[4-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]-3-hydroxybutanamide IUPAC Name: (3S)-N-[3-[[4-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]-2-methylphenyl]-3-hydroxybutanamide Traditional Name: (3S)-N-[3-[[4-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-s-triazin-2-yl]amino]-2-methyl-phenyl]-3-hydroxy-butyramide Formula: C23H25BrN6O2 MolecularWeight: 497.3876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CC(C)O)NC2=NC=NC(=N2)N3CCC4=C(C3)C=CC(=C4)Br

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C[C@H](C)O)NC2=NC=NC(=N2)N3CCC4=C(C3)C=CC(=C4)Br

InChI

InChI=1S/C23H25BrN6O2/c1-14(31)10-21(32)27-19-4-3-5-20(15(19)2)28-22-25-13-26-23(29-22)30-9-8-16-11-18(24)7-6-17(16)12-30/h3-7,11,13-14,31H,8-10,12H2,1-2H3,(H,27,32)(H,25,26,28,29)/t14-/m0/s1