2-ethanoyl-2-methyl-9-(phenylmethyl)-1H-purine-6-carboxamide

Systemtic Name: 2-ethanoyl-2-methyl-9-(phenylmethyl)-1H-purine-6-carboxamide Openeye Name: 2-acetyl-9-benzyl-2-methyl-1H-purine-6-carboxamide CAS Name: 2-acetyl-2-methyl-9-(phenylmethyl)-1H-purine-6-carboxamide IUPAC Name: 2-acetyl-9-benzyl-2-methyl-1H-purine-6-carboxamide Traditional Name: 2-acetyl-9-benzyl-2-methyl-1H-purine-6-carboxamide Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(NC(=C2C(=N1)N(C=N2)CC3=CC=CC=C3)C(=O)N)C

Isomeric SMILES

CC(=O)C1(NC(=C2C(=N1)N(C=N2)CC3=CC=CC=C3)C(=O)N)C

InChI

InChI=1S/C16H17N5O2/c1-10(22)16(2)19-12(14(17)23)13-15(20-16)21(9-18-13)8-11-6-4-3-5-7-11/h3-7,9,19H,8H2,1-2H3,(H2,17,23)