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

Systemtic Name: methyl 2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanoate Openeye Name: methyl 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)acetate CAS Name: 2-[7-but-2-ynyl-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)acetate Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-3-methyl-8-piperazino-purin-1-yl)acetic acid methyl ester Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O4/c1-4-5-8-22-13-14(19-16(22)21-9-6-18-7-10-21)20(2)17(26)23(15(13)25)11-12(24)27-3/h18H,6-11H2,1-3H3