2-azanyl-2-(2-methylpropanoyl)-1H-purin-6-one

Systemtic Name: 2-azanyl-2-(2-methylpropanoyl)-1H-purin-6-one Openeye Name: 2-amino-2-(2-methylpropanoyl)-1H-purin-6-one CAS Name: 2-amino-2-(2-methyl-1-oxopropyl)-1H-purin-6-one IUPAC Name: 2-amino-2-(2-methylpropanoyl)-1H-purin-6-one Traditional Name: 2-amino-2-isobutyryl-hypoxanthine Formula: C9H11N5O2 MolecularWeight: 221.21594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1(NC(=O)C2=NC=NC2=N1)N

Isomeric SMILES

CC(C)C(=O)C1(NC(=O)C2=NC=NC2=N1)N

InChI

InChI=1S/C9H11N5O2/c1-4(2)6(15)9(10)13-7-5(8(16)14-9)11-3-12-7/h3-4H,10H2,1-2H3,(H,14,16)