8-[2-(4-hexadecoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[2-(4-hexadecoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[2-(4-hexadecoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[2-(4-hexadecoxyphenyl)-2-oxoethyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[2-(4-hexadecoxyphenyl)-2-oxoethyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[2-(4-cetyloxyphenyl)-2-keto-ethyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C31H46N4O4 MolecularWeight: 538.72134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C31H46N4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-39-25-20-18-24(19-21-25)26(36)23-27-32-28-29(33-27)34(2)31(38)35(3)30(28)37/h18-21H,4-17,22-23H2,1-3H3,(H,32,33)