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

Systemtic Name: methyl 2-[4-[3-methyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]piperazin-1-yl]ethanoate Openeye Name: methyl 2-[4-(3-methyl-2,6-dioxo-7-pentyl-purin-8-yl)piperazin-1-yl]acetate CAS Name: 2-[4-(3-methyl-2,6-dioxo-7-pentyl-8-purinyl)-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)piperazin-1-yl]acetate Traditional Name: 2-[4-(7-amyl-2,6-diketo-3-methyl-purin-8-yl)piperazino]acetic acid methyl ester Formula: C18H28N6O4 MolecularWeight: 392.45272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1N3CCN(CC3)CC(=O)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1N3CCN(CC3)CC(=O)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H28N6O4/c1-4-5-6-7-24-14-15(21(2)18(27)20-16(14)26)19-17(24)23-10-8-22(9-11-23)12-13(25)28-3/h4-12H2,1-3H3,(H,20,26,27)