3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-undec-10-enoyloxy-methoxy]propyl undec-10-enoate

Systemtic Name: 3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)-undec-10-enoyloxy-methoxy]propyl undec-10-enoate Openeye Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-undec-10-enoyloxy-methoxy]propyl undec-10-enoate CAS Name: 10-undecenoic acid 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-(1-oxoundec-10-enoxy)methoxy]propyl ester IUPAC Name: 3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-undec-10-enoyloxymethoxy]propyl undec-10-enoate Traditional Name: undec-10-enoic acid 3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)-undec-10-enoyloxy-methoxy]propyl ester Formula: C31H51N5O6 MolecularWeight: 589.76654

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCCCCC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)OC(=O)CCCCCCCCC=C

Isomeric SMILES

C=CCCCCCCCCC(=O)OCCCOC(N1CNC2=C1NC(=NC2=O)N)OC(=O)CCCCCCCCC=C

InChI

InChI=1S/C31H51N5O6/c1-3-5-7-9-11-13-15-17-20-25(37)40-22-19-23-41-31(36-24-33-27-28(36)34-30(32)35-29(27)39)42-26(38)21-18-16-14-12-10-8-6-4-2/h3-4,31,33H,1-2,5-24H2,(H3,32,34,35,39)