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

Systemtic Name: 7-ethyl-1-[2-oxidanylidene-2-(2-propan-2-yliminopyridin-1-yl)ethyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[2-(2-isopropylimino-1-pyridyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 7-ethyl-1-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[2-oxo-2-(2-propan-2-yliminopyridin-1-yl)ethyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[2-(2-isopropylimino-1-pyridyl)-2-keto-ethyl]xanthine Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4C=CC=CC4=NC(C)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4C=CC=CC4=NC(C)C

InChI

InChI=1S/C24H26N6O3/c1-4-27-16-25-22-21(27)23(32)30(24(33)29(22)14-18-10-6-5-7-11-18)15-20(31)28-13-9-8-12-19(28)26-17(2)3/h5-13,16-17H,4,14-15H2,1-3H3