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

Systemtic Name: 7-ethyl-1-[(7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[(7-methyl-2-oxo-chromen-4-yl)methyl]purine-2,6-dione CAS Name: 7-ethyl-1-[(7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[(7-methyl-2-oxochromen-4-yl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[(2-keto-7-methyl-chromen-4-yl)methyl]xanthine Formula: C25H22N4O4 MolecularWeight: 442.46658

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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=C4C=CC(=C5)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=O)OC5=C4C=CC(=C5)C

InChI

InChI=1S/C25H22N4O4/c1-3-27-15-26-23-22(27)24(31)29(25(32)28(23)13-17-7-5-4-6-8-17)14-18-12-21(30)33-20-11-16(2)9-10-19(18)20/h4-12,15H,3,13-14H2,1-2H3