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hexadecyl 2,8-bis(oxidanylidene)-9-propan-2-yl-3H-purine-7-carboxylate

hexadecyl 2,8-bis(oxidanylidene)-9-propan-2-yl-3H-purine-7-carboxylate

Systemtic Name:hexadecyl 2,8-bis(oxidanylidene)-9-propan-2-yl-3H-purine-7-carboxylate
Openeye Name:hexadecyl 9-isopropyl-2,8-dioxo-3H-purine-7-carboxylate
CAS Name:2,8-dioxo-9-propan-2-yl-3H-purine-7-carboxylic acid hexadecyl ester
IUPAC Name:hexadecyl 2,8-dioxo-9-propan-2-yl-3H-purine-7-carboxylate
Traditional Name:9-isopropyl-2,8-diketo-3H-purine-7-carboxylic acid cetyl ester
Formula: C25H42N4O4
MolecularWeight: 462.62538
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)N1C2=C(NC(=O)N=C2)N(C1=O)C(C)C


Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)N1C2=C(NC(=O)N=C2)N(C1=O)C(C)C


InChI

InChI=1S/C25H42N4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-33-25(32)29-21-19-26-23(30)27-22(21)28(20(2)3)24(29)31/h19-20H,4-18H2,1-3H3,(H,26,27,30)


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