4-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]butanenitrile

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]butanenitrile Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-8-piperazin-1-yl-purin-7-yl)butanenitrile CAS Name: 4-[1,3-dimethyl-2,6-dioxo-8-(1-piperazinyl)-7-purinyl]butanenitrile IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)butanenitrile Traditional Name: 4-(2,6-diketo-1,3-dimethyl-8-piperazino-purin-7-yl)butyronitrile Formula: C15H21N7O2 MolecularWeight: 331.37294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CCCC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CCCC#N

InChI

InChI=1S/C15H21N7O2/c1-19-12-11(13(23)20(2)15(19)24)22(8-4-3-5-16)14(18-12)21-9-6-17-7-10-21/h17H,3-4,6-10H2,1-2H3