[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-methyl-pentyl] octadecanoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]-4-methyl-pentyl] octadecanoate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-methyl-pentyl] octadecanoate CAS Name: octadecanoic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-methylpentyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]-4-methylpentyl] octadecanoate Traditional Name: stearic acid [2-[(2-amino-6-keto-3H-purin-9-yl)methyl]-4-methyl-pentyl] ester Formula: C30H53N5O3 MolecularWeight: 531.77352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CC(C)C)CN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CC(C)C)CN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C30H53N5O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(36)38-22-25(20-24(2)3)21-35-23-32-27-28(35)33-30(31)34-29(27)37/h23-25H,4-22H2,1-3H3,(H3,31,33,34,37)