1,3-bis(cyclohexylmethyl)-8-[3-[(E)-3-imidazol-1-yl-3-oxidanylidene-prop-1-enyl]phenyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-bis(cyclohexylmethyl)-8-[3-[(E)-3-imidazol-1-yl-3-oxidanylidene-prop-1-enyl]phenyl]-7H-purine-2,6-dione Openeye Name: 1,3-bis(cyclohexylmethyl)-8-[3-[(E)-3-imidazol-1-yl-3-oxo-prop-1-enyl]phenyl]-7H-purine-2,6-dione CAS Name: 1,3-bis(cyclohexylmethyl)-8-[3-[(E)-3-(1-imidazolyl)-3-oxoprop-1-enyl]phenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-bis(cyclohexylmethyl)-8-[3-[(E)-3-imidazol-1-yl-3-oxoprop-1-enyl]phenyl]-7H-purine-2,6-dione Traditional Name: 1,3-bis(cyclohexylmethyl)-8-[3-[(E)-3-imidazol-1-yl-3-keto-prop-1-enyl]phenyl]-7H-purine-2,6-quinone Formula: C31H36N6O3 MolecularWeight: 540.65594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=C(C(=O)N(C2=O)CC4CCCCC4)NC(=N3)C5=CC(=CC=C5)C=CC(=O)N6C=CN=C6

Isomeric SMILES

C1CCC(CC1)CN2C3=C(C(=O)N(C2=O)CC4CCCCC4)NC(=N3)C5=CC(=CC=C5)/C=C/C(=O)N6C=CN=C6

InChI

InChI=1S/C31H36N6O3/c38-26(35-17-16-32-21-35)15-14-22-12-7-13-25(18-22)28-33-27-29(34-28)36(19-23-8-3-1-4-9-23)31(40)37(30(27)39)20-24-10-5-2-6-11-24/h7,12-18,21,23-24H,1-6,8-11,19-20H2,(H,33,34)/b15-14+