8-[4-(aminomethyl)phenyl]-1,3-bis(cyclohexylmethyl)-7H-purine-2,6-dione

Systemtic Name: 8-[4-(aminomethyl)phenyl]-1,3-bis(cyclohexylmethyl)-7H-purine-2,6-dione Openeye Name: 8-[4-(aminomethyl)phenyl]-1,3-bis(cyclohexylmethyl)-7H-purine-2,6-dione CAS Name: 8-[4-(aminomethyl)phenyl]-1,3-bis(cyclohexylmethyl)-7H-purine-2,6-dione IUPAC Name: 8-[4-(aminomethyl)phenyl]-1,3-bis(cyclohexylmethyl)-7H-purine-2,6-dione Traditional Name: 8-[4-(aminomethyl)phenyl]-1,3-bis(cyclohexylmethyl)-7H-purine-2,6-quinone Formula: C26H35N5O2 MolecularWeight: 449.5884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=C(C(=O)N(C2=O)CC4CCCCC4)NC(=N3)C5=CC=C(C=C5)CN

Isomeric SMILES

C1CCC(CC1)CN2C3=C(C(=O)N(C2=O)CC4CCCCC4)NC(=N3)C5=CC=C(C=C5)CN

InChI

InChI=1S/C26H35N5O2/c27-15-18-11-13-21(14-12-18)23-28-22-24(29-23)30(16-19-7-3-1-4-8-19)26(33)31(25(22)32)17-20-9-5-2-6-10-20/h11-14,19-20H,1-10,15-17,27H2,(H,28,29)