[2-azanyl-6-oxidanylidene-8-(phenylmethyl)-3H-purin-7-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [2-azanyl-6-oxidanylidene-8-(phenylmethyl)-3H-purin-7-yl]methyl 2,2-dimethylpropanoate Openeye Name: (2-amino-8-benzyl-6-oxo-3H-purin-7-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-amino-6-oxo-8-(phenylmethyl)-3H-purin-7-yl]methyl ester IUPAC Name: (2-amino-8-benzyl-6-oxo-3H-purin-7-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (2-amino-8-benzyl-6-keto-3H-purin-7-yl)methyl ester Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C(=NC2=C1C(=O)N=C(N2)N)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)OCN1C(=NC2=C1C(=O)N=C(N2)N)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O3/c1-18(2,3)16(25)26-10-23-12(9-11-7-5-4-6-8-11)20-14-13(23)15(24)22-17(19)21-14/h4-8H,9-10H2,1-3H3,(H3,19,21,22,24)