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

Systemtic Name: tert-butyl 4-[3-methyl-2,6-bis(oxidanylidene)-7-prop-1-ynyl-purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-methyl-2,6-dioxo-7-prop-1-ynyl-purin-8-yl)piperazine-1-carboxylate CAS Name: 4-(3-methyl-2,6-dioxo-7-prop-1-ynyl-8-purinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-methyl-2,6-dioxo-7-prop-1-ynylpurin-8-yl)piperazine-1-carboxylate Traditional Name: 4-(2,6-diketo-3-methyl-7-prop-1-ynyl-purin-8-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

CC#CN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CC#CN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H24N6O4/c1-6-7-24-12-13(21(5)16(26)20-14(12)25)19-15(24)22-8-10-23(11-9-22)17(27)28-18(2,3)4/h8-11H2,1-5H3,(H,20,25,26)