[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-ethylbenzoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4-ethylbenzoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-4-7-12-25-18-17(19(26)23-21(25)28)24(6-3)16(22-18)13-29-20(27)15-10-8-14(5-2)9-11-15/h8-11H,4-7,12-13H2,1-3H3,(H,23,26,28)