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

Systemtic Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanoic acid Openeye Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]acetic acid CAS Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]acetic acid IUPAC Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]acetic acid Traditional Name: 2-[2,6-diketo-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-purin-1-yl]acetic acid Formula: C17H24N6O4 MolecularWeight: 376.41026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O4/c1-11(2)4-7-22-13-14(19-16(22)21-8-5-18-6-9-21)20(3)17(27)23(15(13)26)10-12(24)25/h4,18H,5-10H2,1-3H3,(H,24,25)