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

Systemtic Name: ethyl 2-[4-[3-methyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]piperazin-1-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H30N6O4 MolecularWeight: 406.4793

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N6O4/c1-4-6-7-8-25-15-16(22(3)19(28)21-17(15)27)20-18(25)24-11-9-23(10-12-24)13-14(26)29-5-2/h4-13H2,1-3H3,(H,21,27,28)