1,3-dimethyl-7-(2-phenylethynyl)-6-[2-(1-piperidin-1-ylcyclohexyl)ethynyl]pteridine-2,4-dione

Systemtic Name: 1,3-dimethyl-7-(2-phenylethynyl)-6-[2-(1-piperidin-1-ylcyclohexyl)ethynyl]pteridine-2,4-dione Openeye Name: 1,3-dimethyl-7-(2-phenylethynyl)-6-[2-[1-(1-piperidyl)cyclohexyl]ethynyl]pteridine-2,4-dione CAS Name: 1,3-dimethyl-7-(2-phenylethynyl)-6-[2-[1-(1-piperidinyl)cyclohexyl]ethynyl]pteridine-2,4-dione IUPAC Name: 1,3-dimethyl-7-(2-phenylethynyl)-6-[2-(1-piperidin-1-ylcyclohexyl)ethynyl]pteridine-2,4-dione Traditional Name: 1,3-dimethyl-7-(2-phenylethynyl)-6-[2-(1-piperidinocyclohexyl)ethynyl]pteridine-2,4-quinone Formula: C29H31N5O2 MolecularWeight: 481.58874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=C(N=C2C(=O)N(C1=O)C)C#CC3(CCCCC3)N4CCCCC4)C#CC5=CC=CC=C5

Isomeric SMILES

CN1C2=NC(=C(N=C2C(=O)N(C1=O)C)C#CC3(CCCCC3)N4CCCCC4)C#CC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O2/c1-32-26-25(27(35)33(2)28(32)36)30-24(23(31-26)15-14-22-12-6-3-7-13-22)16-19-29(17-8-4-9-18-29)34-20-10-5-11-21-34/h3,6-7,12-13H,4-5,8-11,17-18,20-21H2,1-2H3