7-ethyl-1-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]purine-2,6-dione CAS Name: 7-ethyl-1-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]xanthine Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=O)OC5=CC(=C(C=C45)C(C)C)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=O)OC5=CC(=C(C=C45)C(C)C)C

InChI

InChI=1S/C28H28N4O4/c1-5-30-16-29-26-25(30)27(34)32(28(35)31(26)14-19-9-7-6-8-10-19)15-20-12-24(33)36-23-11-18(4)21(17(2)3)13-22(20)23/h6-13,16-17H,5,14-15H2,1-4H3