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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 5-isopropyl-3-methyl-isoxazole-4-carboxylate CAS Name: 3-methyl-5-propan-2-yl-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-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Traditional Name: 5-isopropyl-3-methyl-isoxazole-4-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O5/c1-10(2)14-12(11(3)20-28-14)17(25)27-8-6-7-23-16(24)13-15(19-9-21(13)4)22(5)18(23)26/h9-10H,6-8H2,1-5H3