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

Systemtic Name: 2-[7-butan-2-yl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanenitrile Openeye Name: 2-(3-methyl-2,6-dioxo-8-piperazin-1-yl-7-sec-butyl-purin-1-yl)acetonitrile CAS Name: 2-[7-butan-2-yl-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]acetonitrile IUPAC Name: 2-(7-butan-2-yl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)acetonitrile Traditional Name: 2-(2,6-diketo-3-methyl-8-piperazino-7-sec-butyl-purin-1-yl)acetonitrile Formula: C16H23N7O2 MolecularWeight: 345.39952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC#N)C

Isomeric SMILES

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC#N)C

InChI

InChI=1S/C16H23N7O2/c1-4-11(2)23-12-13(19-15(23)21-9-6-18-7-10-21)20(3)16(25)22(8-5-17)14(12)24/h11,18H,4,6-10H2,1-3H3