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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3C#N)N4CCNCC4)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3C#N)N4CCNCC4)N(C1=O)C

InChI

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