phenyl 2-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanoate

Systemtic Name: phenyl 2-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanoate Openeye Name: phenyl 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-yl-purin-3-yl)acetate CAS Name: 2-[7-but-2-ynyl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]acetic acid phenyl ester IUPAC Name: phenyl 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)acetate Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-1-methyl-8-piperazino-purin-3-yl)acetic acid phenyl ester Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC(=O)OC4=CC=CC=C4

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H24N6O4/c1-3-4-12-27-18-19(24-21(27)26-13-10-23-11-14-26)28(22(31)25(2)20(18)30)15-17(29)32-16-8-6-5-7-9-16/h5-9,23H,10-15H2,1-2H3