methyl 7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-3-carboxylate

Systemtic Name: methyl 7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purine-3-carboxylate Openeye Name: methyl 7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-yl-purine-3-carboxylate CAS Name: 7-but-2-ynyl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinecarboxylic acid methyl ester IUPAC Name: methyl 7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurine-3-carboxylate Traditional Name: 7-but-2-ynyl-2,6-diketo-1-methyl-8-piperazino-purine-3-carboxylic acid methyl 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)C(=O)OC

Isomeric SMILES

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

InChI

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