4-[4-[3-methyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-[3-methyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(7-isopropyl-3-methyl-2,6-dioxo-purin-8-yl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(3-methyl-2,6-dioxo-7-propan-2-yl-8-purinyl)-1-piperazinyl]-4-oxobutanoate IUPAC Name: 4-[4-(3-methyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(7-isopropyl-2,6-diketo-3-methyl-purin-8-yl)piperazino]-4-keto-butyrate Formula: C17H23N6O5- MolecularWeight: 391.40172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1N3CCN(CC3)C(=O)CCC(=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1N3CCN(CC3)C(=O)CCC(=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C17H24N6O5/c1-10(2)23-13-14(20(3)17(28)19-15(13)27)18-16(23)22-8-6-21(7-9-22)11(24)4-5-12(25)26/h10H,4-9H2,1-3H3,(H,25,26)(H,19,27,28)/p-1