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

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(2-propan-2-yliminopyridin-1-yl)ethyl]purine-2,6-dione Openeye Name: 7-[2-(2-isopropylimino-1-pyridyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(2-propan-2-yliminopyridin-1-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-(2-isopropylimino-1-pyridyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1C=CC=CN1C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)N=C1C=CC=CN1C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H20N6O3/c1-11(2)19-12-7-5-6-8-23(12)13(24)9-22-10-18-15-14(22)16(25)21(4)17(26)20(15)3/h5-8,10-11H,9H2,1-4H3