1-[[2-[[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[2-[[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[2-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[2-[[(2-amino-6-chloro-4-pyrimidinyl)amino]methyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[2-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]benzyl]-2-pyrrolidone Formula: C16H18ClN5O MolecularWeight: 331.80002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=CC=C2CNC3=CC(=NC(=N3)N)Cl

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=CC=C2CNC3=CC(=NC(=N3)N)Cl

InChI

InChI=1S/C16H18ClN5O/c17-13-8-14(21-16(18)20-13)19-9-11-4-1-2-5-12(11)10-22-7-3-6-15(22)23/h1-2,4-5,8H,3,6-7,9-10H2,(H3,18,19,20,21)