[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C17H22N6O5 MolecularWeight: 390.39378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(ON=C3C)N)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(ON=C3C)N)CC

InChI

InChI=1S/C17H22N6O5/c1-4-6-7-23-14-12(15(24)20-17(23)26)22(5-2)10(19-14)8-27-16(25)11-9(3)21-28-13(11)18/h4-8,18H2,1-3H3,(H,20,24,26)