[(1R,4S)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl 3,3-dimethylbutanoate

Systemtic Name: [(1R,4S)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl 3,3-dimethylbutanoate Openeye Name: [(1R,4S)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [(1R,4S)-4-(2-amino-6-oxo-3H-purin-9-yl)-1-cyclopent-2-enyl]methyl ester IUPAC Name: [(1R,4S)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [(1R,4S)-4-(2-amino-6-keto-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl ester Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC1CC(C=C1)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC(C)(C)CC(=O)OC[C@@H]1C[C@@H](C=C1)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C17H23N5O3/c1-17(2,3)7-12(23)25-8-10-4-5-11(6-10)22-9-19-13-14(22)20-16(18)21-15(13)24/h4-5,9-11H,6-8H2,1-3H3,(H3,18,20,21,24)/t10-,11+/m0/s1