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

Systemtic Name: [7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl] ethanoate Openeye Name: (7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-yl-purin-3-yl) acetate CAS Name: acetic acid [7-but-2-ynyl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl] ester IUPAC Name: (7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl) acetate Traditional Name: acetic acid (7-but-2-ynyl-2,6-diketo-1-methyl-8-piperazino-purin-3-yl) ester Formula: C16H20N6O4 MolecularWeight: 360.3678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O4/c1-4-5-8-21-12-13(18-15(21)20-9-6-17-7-10-20)22(26-11(2)23)16(25)19(3)14(12)24/h17H,6-10H2,1-3H3