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

Systemtic Name: methyl 2-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-yl-purin-3-yl)-2-phenyl-acetate CAS Name: 2-[7-but-2-ynyl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)-2-phenylacetate Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-1-methyl-8-piperazino-purin-3-yl)-2-phenyl-acetic acid methyl ester Formula: C23H26N6O4 MolecularWeight: 450.49034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O4/c1-4-5-13-28-18-19(25-22(28)27-14-11-24-12-15-27)29(23(32)26(2)20(18)30)17(21(31)33-3)16-9-7-6-8-10-16/h6-10,17,24H,11-15H2,1-3H3