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

Systemtic Name: 2-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]propanoate Openeye Name: 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-yl-purin-3-yl)propanoate CAS Name: 2-[7-but-2-ynyl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]propanoate IUPAC Name: 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)propanoate Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-1-methyl-8-piperazino-purin-3-yl)propionate Formula: C17H21N6O4- MolecularWeight: 373.38644

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C(C)C(=O)[O-]

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C(C)C(=O)[O-]

InChI

InChI=1S/C17H22N6O4/c1-4-5-8-22-12-13(19-16(22)21-9-6-18-7-10-21)23(11(2)15(25)26)17(27)20(3)14(12)24/h11,18H,6-10H2,1-3H3,(H,25,26)/p-1