2-azanyl-5-[[(3-chlorophenyl)amino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-5-[[(3-chlorophenyl)amino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-[(3-chloroanilino)methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5-[(3-chloroanilino)methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-amino-5-[(3-chloroanilino)methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-[(3-chloroanilino)methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one Formula: C13H12ClN5O MolecularWeight: 289.72028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NCC2=CNC3=C2C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NCC2=CNC3=C2C(=O)N=C(N3)N

InChI

InChI=1S/C13H12ClN5O/c14-8-2-1-3-9(4-8)16-5-7-6-17-11-10(7)12(20)19-13(15)18-11/h1-4,6,16H,5H2,(H4,15,17,18,19,20)