8-but-3-ynyl-3-(cyclohexylmethyl)-1-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 8-but-3-ynyl-3-(cyclohexylmethyl)-1-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 1-benzyl-8-but-3-ynyl-3-(cyclohexylmethyl)-7H-purine-2,6-dione CAS Name: 8-but-3-ynyl-3-(cyclohexylmethyl)-1-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 1-benzyl-8-but-3-ynyl-3-(cyclohexylmethyl)-7H-purine-2,6-dione Traditional Name: 1-benzyl-8-but-3-ynyl-3-(cyclohexylmethyl)-7H-purine-2,6-quinone Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCC1=NC2=C(N1)C(=O)N(C(=O)N2CC3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

C#CCCC1=NC2=C(N1)C(=O)N(C(=O)N2CC3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-2-3-14-19-24-20-21(25-19)26(15-17-10-6-4-7-11-17)23(29)27(22(20)28)16-18-12-8-5-9-13-18/h1,5,8-9,12-13,17H,3-4,6-7,10-11,14-16H2,(H,24,25)