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

Systemtic Name: [(1R,4S)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl hexadecanoate Openeye Name: [(1R,4S)-4-(2-amino-6-oxo-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl hexadecanoate CAS Name: hexadecanoic 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 hexadecanoate Traditional Name: palmitic acid [(1R,4S)-4-(2-amino-6-keto-3H-purin-9-yl)cyclopent-2-en-1-yl]methyl ester Formula: C27H43N5O3 MolecularWeight: 485.66202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N5O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(33)35-19-21-16-17-22(18-21)32-20-29-24-25(32)30-27(28)31-26(24)34/h16-17,20-22H,2-15,18-19H2,1H3,(H3,28,30,31,34)/t21-,22+/m0/s1