4-[(2-chloranyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butanoic acid hydrate

Systemtic Name: 4-[(2-chloranyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butanoic acid hydrate Openeye Name: 4-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butanoic acid hydrate CAS Name: 4-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butanoic acid hydrate IUPAC Name: 4-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butanoic acid hydrate Traditional Name: 4-[(2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]butyric acid hydrate Formula: C10H13ClN4O3 MolecularWeight: 272.68822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC2=C1N=C(N=C2NCCCC(=O)O)Cl.O

Isomeric SMILES

C1=CNC2=C1N=C(N=C2NCCCC(=O)O)Cl.O

InChI

InChI=1S/C10H11ClN4O2.H2O/c11-10-14-6-3-5-12-8(6)9(15-10)13-4-1-2-7(16)17;/h3,5,12H,1-2,4H2,(H,16,17)(H,13,14,15);1H2