2-azanyl-6,7-dimethyl-1H-pteridin-4-one hydrate

Systemtic Name: 2-azanyl-6,7-dimethyl-1H-pteridin-4-one hydrate Openeye Name: 2-amino-6,7-dimethyl-1H-pteridin-4-one hydrate CAS Name: 2-amino-6,7-dimethyl-1H-pteridin-4-one hydrate IUPAC Name: 2-amino-6,7-dimethyl-1H-pteridin-4-one hydrate Traditional Name: 2-amino-6,7-dimethyl-1H-pteridin-4-one hydrate Formula: C8H11N5O2 MolecularWeight: 209.20524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(NC(=NC2=O)N)N=C1C.O

Isomeric SMILES

CC1=NC2=C(NC(=NC2=O)N)N=C1C.O

InChI

InChI=1S/C8H9N5O.H2O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6;/h1-2H3,(H3,9,11,12,13,14);1H2