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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3-ethyl-5-methyl-isoxazole-4-carboxylate CAS Name: 3-ethyl-5-methyl-4-isoxazolecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-ethyl-5-methyl-isoxazole-4-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C

InChI

InChI=1S/C17H21N5O5/c1-5-11-12(10(2)27-19-11)16(24)26-8-6-7-22-15(23)13-14(18-9-20(13)3)21(4)17(22)25/h9H,5-8H2,1-4H3