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

Systemtic Name: methyl 2-[7-but-2-ynyl-2,6-bis(oxidanylidene)-1-phenacyl-8-piperazin-1-yl-purin-3-yl]ethanoate Openeye Name: methyl 2-(7-but-2-ynyl-2,6-dioxo-1-phenacyl-8-piperazin-1-yl-purin-3-yl)acetate CAS Name: 2-[7-but-2-ynyl-2,6-dioxo-1-phenacyl-8-(1-piperazinyl)-3-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-(7-but-2-ynyl-2,6-dioxo-1-phenacyl-8-piperazin-1-ylpurin-3-yl)acetate Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-1-phenacyl-8-piperazino-purin-3-yl)acetic acid methyl ester Formula: C24H26N6O5 MolecularWeight: 478.50044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O5/c1-3-4-12-28-20-21(26-23(28)27-13-10-25-11-14-27)29(16-19(32)35-2)24(34)30(22(20)33)15-18(31)17-8-6-5-7-9-17/h5-9,25H,10-16H2,1-2H3