7-ethyl-1-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]xanthine Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=C(N(C(=C4)C)CC)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)C4=C(N(C(=C4)C)CC)C

InChI

InChI=1S/C24H27N5O3/c1-5-26-15-25-22-21(26)23(31)29(24(32)28(22)13-18-10-8-7-9-11-18)14-20(30)19-12-16(3)27(6-2)17(19)4/h7-12,15H,5-6,13-14H2,1-4H3