methyl 2-[7-butan-2-yl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]ethanoate

Systemtic Name: methyl 2-[7-butan-2-yl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]ethanoate Openeye Name: methyl 2-(2,6-dioxo-1-phenethyl-8-piperazin-1-yl-7-sec-butyl-purin-3-yl)acetate CAS Name: 2-[7-butan-2-yl-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-(7-butan-2-yl-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurin-3-yl)acetate Traditional Name: 2-(2,6-diketo-1-phenethyl-8-piperazino-7-sec-butyl-purin-3-yl)acetic acid methyl ester Formula: C24H32N6O4 MolecularWeight: 468.54868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)OC

Isomeric SMILES

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)OC

InChI

InChI=1S/C24H32N6O4/c1-4-17(2)30-20-21(26-23(30)27-14-11-25-12-15-27)29(16-19(31)34-3)24(33)28(22(20)32)13-10-18-8-6-5-7-9-18/h5-9,17,25H,4,10-16H2,1-3H3