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

Systemtic Name: 2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanenitrile Openeye Name: 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)acetonitrile CAS Name: 2-[7-but-2-ynyl-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]acetonitrile IUPAC Name: 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)acetonitrile Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-3-methyl-8-piperazino-purin-1-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)CC#N)C

Isomeric SMILES

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

InChI

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