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

Systemtic Name: 8-(diethylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(diethylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(diethylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(diethylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(diethylamino)-3-methyl-7-(3-phenylpropyl)xanthine Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H25N5O2/c1-4-23(5-2)18-20-16-15(17(25)21-19(26)22(16)3)24(18)13-9-12-14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H,21,25,26)