8-(diethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione

Systemtic Name: 8-(diethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Openeye Name: 8-(diethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 8-(diethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione IUPAC Name: 8-(diethylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione Traditional Name: 8-(diethylamino)-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H23N5O3/c1-4-22(5-2)17-19-15-14(16(24)20-18(25)21(15)3)23(17)11-12-26-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3,(H,20,24,25)