2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethyl benzoate

Systemtic Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethyl benzoate Openeye Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]ethyl benzoate CAS Name: benzoic acid 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]ethyl ester IUPAC Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]ethyl benzoate Traditional Name: benzoic acid 2-[2,6-diketo-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-purin-1-yl]ethyl ester Formula: C24H30N6O4 MolecularWeight: 466.5328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCOC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCOC(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C24H30N6O4/c1-17(2)9-12-29-19-20(26-23(29)28-13-10-25-11-14-28)27(3)24(33)30(21(19)31)15-16-34-22(32)18-7-5-4-6-8-18/h4-9,25H,10-16H2,1-3H3