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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ON1C(=O)C2=C(N=C(N2CC#CC)N3CCNCC3)N(C1=O)C

Isomeric SMILES

CCC(=O)ON1C(=O)C2=C(N=C(N2CC#CC)N3CCNCC3)N(C1=O)C

InChI

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