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

Systemtic Name: 3-[[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)methyl]benzonitrile CAS Name: 3-[[7-but-2-ynyl-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]methyl]benzonitrile IUPAC Name: 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzonitrile Traditional Name: 3-[(7-but-2-ynyl-2,6-diketo-3-methyl-8-piperazino-purin-1-yl)methyl]benzonitrile Formula: C22H23N7O2 MolecularWeight: 417.46372

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC4=CC=CC(=C4)C#N)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC4=CC=CC(=C4)C#N)C

InChI

InChI=1S/C22H23N7O2/c1-3-4-10-28-18-19(25-21(28)27-11-8-24-9-12-27)26(2)22(31)29(20(18)30)15-17-7-5-6-16(13-17)14-23/h5-7,13,24H,8-12,15H2,1-2H3