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

Systemtic Name: 4-[4-[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(7-isopentyl-3-methyl-2,6-dioxo-purin-8-yl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]-1-piperazinyl]-4-oxobutanoate IUPAC Name: 4-[4-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(7-isoamyl-2,6-diketo-3-methyl-purin-8-yl)piperazino]-4-keto-butyrate Formula: C19H27N6O5- MolecularWeight: 419.45488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N3CCN(CC3)C(=O)CCC(=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N3CCN(CC3)C(=O)CCC(=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C19H28N6O5/c1-12(2)6-7-25-15-16(22(3)19(30)21-17(15)29)20-18(25)24-10-8-23(9-11-24)13(26)4-5-14(27)28/h12H,4-11H2,1-3H3,(H,27,28)(H,21,29,30)/p-1