6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl 2-azanyl-3-methyl-butanoate

Systemtic Name: 6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl 2-azanyl-3-methyl-butanoate Openeye Name: [5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic acid 6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexan-2-yl ester IUPAC Name: 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl 2-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric acid [5-(2,6-diketo-3,7-dimethyl-purin-1-yl)-1-methyl-pentyl] ester Formula: C18H29N5O4 MolecularWeight: 379.45396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)N

Isomeric SMILES

CC(C)C(C(=O)OC(C)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)N

InChI

InChI=1S/C18H29N5O4/c1-11(2)13(19)17(25)27-12(3)8-6-7-9-23-16(24)14-15(20-10-21(14)4)22(5)18(23)26/h10-13H,6-9,19H2,1-5H3