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

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(4-phenylpiperazin-1-yl)purin-7-yl]propanenitrile Openeye Name: 3-[1,3-dimethyl-2,6-dioxo-8-(4-phenylpiperazin-1-yl)purin-7-yl]propanenitrile CAS Name: 3-[1,3-dimethyl-2,6-dioxo-8-(4-phenyl-1-piperazinyl)-7-purinyl]propanenitrile IUPAC Name: 3-[1,3-dimethyl-2,6-dioxo-8-(4-phenylpiperazin-1-yl)purin-7-yl]propanenitrile Traditional Name: 3-[2,6-diketo-1,3-dimethyl-8-(4-phenylpiperazino)purin-7-yl]propionitrile Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C20H23N7O2/c1-23-17-16(18(28)24(2)20(23)29)27(10-6-9-21)19(22-17)26-13-11-25(12-14-26)15-7-4-3-5-8-15/h3-5,7-8H,6,10-14H2,1-2H3