methyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]oxybenzoate

Systemtic Name: methyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]oxybenzoate Openeye Name: methyl 4-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)oxybenzoate CAS Name: 4-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)oxy]benzoic acid methyl ester IUPAC Name: methyl 4-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)oxybenzoate Traditional Name: 4-(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)oxybenzoic acid methyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1OC3=CC=C(C=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1OC3=CC=C(C=C3)C(=O)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H20N4O5/c1-10(2)22-13-14(20(3)18(25)21(4)15(13)23)19-17(22)27-12-8-6-11(7-9-12)16(24)26-5/h6-10H,1-5H3