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

Systemtic Name: [4-[[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]methyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(2-amino-6-chloro-4-pyrimidinyl)amino]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]phenyl]-pyrrolidino-methanone Formula: C16H18ClN5O MolecularWeight: 331.80002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC3=CC(=NC(=N3)N)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC3=CC(=NC(=N3)N)Cl

InChI

InChI=1S/C16H18ClN5O/c17-13-9-14(21-16(18)20-13)19-10-11-3-5-12(6-4-11)15(23)22-7-1-2-8-22/h3-6,9H,1-2,7-8,10H2,(H3,18,19,20,21)