8-[1-(4-phenylmethoxyphenyl)propan-2-yl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[1-(4-phenylmethoxyphenyl)propan-2-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[2-(4-benzyloxyphenyl)-1-methyl-ethyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-(4-phenylmethoxyphenyl)propan-2-yl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-(4-phenylmethoxyphenyl)propan-2-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[2-(4-benzoxyphenyl)-1-methyl-ethyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(C)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C(C)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3/c1-4-15-30-25-23(26(32)31(16-5-2)27(30)33)28-24(29-25)19(3)17-20-11-13-22(14-12-20)34-18-21-9-7-6-8-10-21/h6-14,19H,4-5,15-18H2,1-3H3,(H,28,29)