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

Systemtic Name: 4-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]butanenitrile Openeye Name: 4-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-yl-purin-3-yl)butanenitrile CAS Name: 4-[7-but-2-ynyl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]butanenitrile IUPAC Name: 4-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)butanenitrile Traditional Name: 4-(7-but-2-ynyl-2,6-diketo-1-methyl-8-piperazino-purin-3-yl)butyronitrile Formula: C18H23N7O2 MolecularWeight: 369.42092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N7O2/c1-3-4-10-24-14-15(21-17(24)23-12-8-20-9-13-23)25(11-6-5-7-19)18(27)22(2)16(14)26/h20H,5-6,8-13H2,1-2H3