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

Systemtic Name: 2-[7-butan-2-yl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]ethanoic acid Openeye Name: 2-(2,6-dioxo-1-phenethyl-8-piperazin-1-yl-7-sec-butyl-purin-3-yl)acetic acid CAS Name: 2-[7-butan-2-yl-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinyl]acetic acid IUPAC Name: 2-(7-butan-2-yl-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurin-3-yl)acetic acid Traditional Name: 2-(2,6-diketo-1-phenethyl-8-piperazino-7-sec-butyl-purin-3-yl)acetic acid Formula: C23H30N6O4 MolecularWeight: 454.5221

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H30N6O4/c1-3-16(2)29-19-20(25-22(29)26-13-10-24-11-14-26)28(15-18(30)31)23(33)27(21(19)32)12-9-17-7-5-4-6-8-17/h4-8,16,24H,3,9-15H2,1-2H3,(H,30,31)