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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-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 5-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C15H18N6O5 MolecularWeight: 362.34062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)N

Isomeric SMILES

CC1=NOC(=C1C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)N

InChI

InChI=1S/C15H18N6O5/c1-8-9(11(16)26-18-8)14(23)25-6-4-5-21-13(22)10-12(17-7-19(10)2)20(3)15(21)24/h7H,4-6,16H2,1-3H3