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

Systemtic Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanenitrile Openeye Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]acetonitrile CAS Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]acetonitrile IUPAC Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]acetonitrile Traditional Name: 2-[2,6-diketo-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-purin-1-yl]acetonitrile Formula: C17H23N7O2 MolecularWeight: 357.41022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N7O2/c1-12(2)4-8-23-13-14(20-16(23)22-10-6-19-7-11-22)21(3)17(26)24(9-5-18)15(13)25/h4,19H,6-11H2,1-3H3