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

Systemtic Name: (phenylmethyl) 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanoate Openeye Name: benzyl 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]acetate CAS Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]acetate Traditional Name: 2-[2,6-diketo-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-purin-1-yl]acetic acid benzyl 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)CC(=O)OCC4=CC=CC=C4)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)OCC4=CC=CC=C4)C)C

InChI

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