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ethyl 4-[[7-dodecyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazine-1-carboxylate

ethyl 4-[[7-dodecyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazine-1-carboxylate

Systemtic Name:ethyl 4-[[7-dodecyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazine-1-carboxylate
Openeye Name:ethyl 4-[(7-dodecyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)methyl]piperazine-1-carboxylate
CAS Name:4-[(7-dodecyl-1,3-dimethyl-2,6-dioxo-8-purinyl)methyl]-1-piperazinecarboxylic acid ethyl ester
IUPAC Name:ethyl 4-[(7-dodecyl-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl]piperazine-1-carboxylate
Traditional Name:4-[(2,6-diketo-7-lauryl-1,3-dimethyl-purin-8-yl)methyl]piperazine-1-carboxylic acid ethyl ester
Formula: C27H46N6O4
MolecularWeight: 518.69194
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)OCC


Isomeric SMILES

CCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)OCC


InChI

InChI=1S/C27H46N6O4/c1-5-7-8-9-10-11-12-13-14-15-16-33-22(21-31-17-19-32(20-18-31)27(36)37-6-2)28-24-23(33)25(34)30(4)26(35)29(24)3/h5-21H2,1-4H3


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