2-azanyl-6-chloranyl-1H-pyrimidin-4-one hydrate

Systemtic Name: 2-azanyl-6-chloranyl-1H-pyrimidin-4-one hydrate Openeye Name: 2-amino-6-chloro-1H-pyrimidin-4-one hydrate CAS Name: 2-amino-6-chloro-1H-pyrimidin-4-one hydrate IUPAC Name: 2-amino-6-chloro-1H-pyrimidin-4-one hydrate Traditional Name: 2-amino-6-chloro-1H-pyrimidin-4-one hydrate Formula: C4H6ClN3O2 MolecularWeight: 163.56234

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=NC1=O)N)Cl.O

Isomeric SMILES

C1=C(NC(=NC1=O)N)Cl.O

InChI

InChI=1S/C4H4ClN3O.H2O/c5-2-1-3(9)8-4(6)7-2;/h1H,(H3,6,7,8,9);1H2