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

Systemtic Name: tert-butyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]-3-(hydroxymethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(7-allyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)-3-(hydroxymethyl)piperazine-1-carboxylate CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)-3-(hydroxymethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)-3-(hydroxymethyl)piperazine-1-carboxylate Traditional Name: 4-(7-allyl-2,6-diketo-1,3-dimethyl-purin-8-yl)-3-methylol-piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30N6O5 MolecularWeight: 434.4894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)CO)C2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)CO)C2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H30N6O5/c1-7-8-26-14-15(22(5)18(29)23(6)16(14)28)21-17(26)25-10-9-24(11-13(25)12-27)19(30)31-20(2,3)4/h7,13,27H,1,8-12H2,2-6H3