tert-butyl 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[2,6-diketo-3-methyl-7-(3-methylbut-2-enyl)purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30N6O4 MolecularWeight: 418.49

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N(C(=O)NC2=O)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N(C(=O)NC2=O)C)C

InChI

InChI=1S/C20H30N6O4/c1-13(2)7-8-26-14-15(23(6)18(28)22-16(14)27)21-17(26)24-9-11-25(12-10-24)19(29)30-20(3,4)5/h7H,8-12H2,1-6H3,(H,22,27,28)