6-azanyl-1,3-dimethyl-purin-2-one trihydrate

Systemtic Name: 6-azanyl-1,3-dimethyl-purin-2-one trihydrate Openeye Name: 6-amino-1,3-dimethyl-purin-2-one trihydrate CAS Name: 6-amino-1,3-dimethyl-2-purinone trihydrate IUPAC Name: 6-amino-1,3-dimethylpurin-2-one trihydrate Traditional Name: 6-amino-1,3-dimethyl-purin-2-one trihydrate Formula: C7H15N5O4 MolecularWeight: 233.2251

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC=N2)N(C1=O)C)N.O.O.O

Isomeric SMILES

CN1C(=C2C(=NC=N2)N(C1=O)C)N.O.O.O

InChI

InChI=1S/C7H9N5O.3H2O/c1-11-5(8)4-6(10-3-9-4)12(2)7(11)13;;;/h3H,8H2,1-2H3;3*1H2