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

Systemtic Name: tert-butyl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(7-allyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)piperazine-1-carboxylate CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)piperazine-1-carboxylate Traditional Name: 4-(7-allyl-2,6-diketo-1,3-dimethyl-purin-8-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H28N6O4 MolecularWeight: 404.46342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H28N6O4/c1-7-8-25-13-14(21(5)17(27)22(6)15(13)26)20-16(25)23-9-11-24(12-10-23)18(28)29-19(2,3)4/h7H,1,8-12H2,2-6H3