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

Systemtic Name: ethyl 3-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]propanoate Openeye Name: ethyl 3-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]propanoate CAS Name: 3-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]propanoate Traditional Name: 3-[2,6-diketo-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-purin-1-yl]propionic acid ethyl ester Formula: C20H30N6O4 MolecularWeight: 418.49

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=O)C2=C(N=C(N2CC=C(C)C)N3CCNCC3)N(C1=O)C

Isomeric SMILES

CCOC(=O)CCN1C(=O)C2=C(N=C(N2CC=C(C)C)N3CCNCC3)N(C1=O)C

InChI

InChI=1S/C20H30N6O4/c1-5-30-15(27)7-11-26-18(28)16-17(23(4)20(26)29)22-19(24-12-8-21-9-13-24)25(16)10-6-14(2)3/h6,21H,5,7-13H2,1-4H3