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

Systemtic Name: tert-butyl 4-[1-(2-azanylethyl)-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2-aminoethyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[1-(2-aminoethyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-aminoethyl)-7-but-2-ynyl-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-aminoethyl)-7-but-2-ynyl-2,6-diketo-3-methyl-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H31N7O4 MolecularWeight: 445.51534

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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)N(C2=O)CCN)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N(C(=O)N(C2=O)CCN)C

InChI

InChI=1S/C21H31N7O4/c1-6-7-9-27-15-16(24(5)19(30)28(10-8-22)17(15)29)23-18(27)25-11-13-26(14-12-25)20(31)32-21(2,3)4/h8-14,22H2,1-5H3