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

Systemtic Name: 2-[1-[3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]butyl]benzenecarbonitrile Openeye Name: 2-[1-(3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-7-yl)butyl]benzonitrile CAS Name: 2-[1-[3-methyl-2,6-dioxo-8-(1-piperazinyl)-7-purinyl]butyl]benzonitrile IUPAC Name: 2-[1-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)butyl]benzonitrile Traditional Name: 2-[1-(2,6-diketo-3-methyl-8-piperazino-purin-7-yl)butyl]benzonitrile Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1C#N)N2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CCCC(C1=CC=CC=C1C#N)N2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C21H25N7O2/c1-3-6-16(15-8-5-4-7-14(15)13-22)28-17-18(26(2)21(30)25-19(17)29)24-20(28)27-11-9-23-10-12-27/h4-5,7-8,16,23H,3,6,9-12H2,1-2H3,(H,25,29,30)