[4-(2-azanyl-3-methyl-pentanoyl)oxy-2-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]butyl] (E)-tetradec-9-enoate

Systemtic Name: [4-(2-azanyl-3-methyl-pentanoyl)oxy-2-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]butyl] (E)-tetradec-9-enoate Openeye Name: [4-(2-amino-3-methyl-pentanoyl)oxy-2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]butyl] (E)-tetradec-9-enoate CAS Name: (E)-9-tetradecenoic acid [4-(2-amino-3-methyl-1-oxopentoxy)-2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]butyl] ester IUPAC Name: [4-(2-amino-3-methylpentanoyl)oxy-2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]butyl] (E)-tetradec-9-enoate Traditional Name: (E)-tetradec-9-enoic acid [2-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methyl]-4-(2-amino-3-methyl-pentanoyl)oxy-butyl] ester Formula: C30H52N6O5 MolecularWeight: 576.77108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CCCCCCCCC(=O)OCC(CCOC(=O)C(C(C)CC)N)CN1CNC2=C1NC(=NC2=O)N

Isomeric SMILES

CCCC/C=C/CCCCCCCC(=O)OCC(CCOC(=O)C(C(C)CC)N)CN1CNC2=C1NC(=NC2=O)N

InChI

InChI=1S/C30H52N6O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-24(37)41-20-23(17-18-40-29(39)25(31)22(3)5-2)19-36-21-33-26-27(36)34-30(32)35-28(26)38/h8-9,22-23,25,33H,4-7,10-21,31H2,1-3H3,(H3,32,34,35,38)/b9-8+