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

Systemtic Name: methyl 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]propanoate Openeye Name: methyl 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]propanoate CAS Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]propanoic acid methyl ester IUPAC Name: methyl 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]propanoate Traditional Name: 2-[2,6-diketo-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-purin-1-yl]propionic acid methyl ester Formula: C19H28N6O4 MolecularWeight: 404.46342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1C(=O)C2=C(N=C(N2CC=C(C)C)N3CCNCC3)N(C1=O)C

Isomeric SMILES

CC(C(=O)OC)N1C(=O)C2=C(N=C(N2CC=C(C)C)N3CCNCC3)N(C1=O)C

InChI

InChI=1S/C19H28N6O4/c1-12(2)6-9-24-14-15(21-18(24)23-10-7-20-8-11-23)22(4)19(28)25(16(14)26)13(3)17(27)29-5/h6,13,20H,7-11H2,1-5H3