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

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

Systemtic Name:2-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanenitrile
Openeye Name:2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-yl-purin-3-yl)acetonitrile
CAS Name:2-[7-but-2-ynyl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]acetonitrile
IUPAC Name:2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)acetonitrile
Traditional Name:2-(7-but-2-ynyl-2,6-diketo-1-methyl-8-piperazino-purin-3-yl)acetonitrile
Formula: C16H19N7O2
MolecularWeight: 341.36776
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H19N7O2/c1-3-4-8-22-12-13(19-15(22)21-10-6-18-7-11-21)23(9-5-17)16(25)20(2)14(12)24/h18H,6-11H2,1-2H3


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