2-azanyl-6-chloranyl-1,3-diazinan-4-one; 2-azanyl-6-chloranyl-1H-pyrimidin-4-one; hydrate

Systemtic Name: 2-azanyl-6-chloranyl-1,3-diazinan-4-one; 2-azanyl-6-chloranyl-1H-pyrimidin-4-one; hydrate Openeye Name: 2-amino-6-chloro-hexahydropyrimidin-4-one; 2-amino-6-chloro-1H-pyrimidin-4-one; hydrate CAS Name: 2-amino-6-chloro-1,3-diazinan-4-one; 2-amino-6-chloro-1H-pyrimidin-4-one; hydrate IUPAC Name: 2-amino-6-chloro-1,3-diazinan-4-one; 2-amino-6-chloro-1H-pyrimidin-4-one; hydrate Traditional Name: 2-amino-6-chloro-hexahydropyrimidin-4-one; 2-amino-6-chloro-1H-pyrimidin-4-one; hydrate Formula: C8H14Cl2N6O3 MolecularWeight: 313.14116

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(NC1=O)N)Cl.C1=C(NC(=NC1=O)N)Cl.O

Isomeric SMILES

C1C(NC(NC1=O)N)Cl.C1=C(NC(=NC1=O)N)Cl.O

InChI

InChI=1S/C4H8ClN3O.C4H4ClN3O.H2O/c2*5-2-1-3(9)8-4(6)7-2;/h2,4,7H,1,6H2,(H,8,9);1H,(H3,6,7,8,9);1H2