8-(ethylamino)-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(ethylamino)-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(ethylamino)-7-[2-(4-methoxyphenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(ethylamino)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(ethylamino)-7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(ethylamino)-7-[2-keto-2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC(=O)C3=CC=C(C=C3)OC)C(=O)NC(=O)N2C

Isomeric SMILES

CCNC1=NC2=C(N1CC(=O)C3=CC=C(C=C3)OC)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H19N5O4/c1-4-18-16-19-14-13(15(24)20-17(25)21(14)2)22(16)9-12(23)10-5-7-11(26-3)8-6-10/h5-8H,4,9H2,1-3H3,(H,18,19)(H,20,24,25)