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

Systemtic Name: 8-(dimethylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(dimethylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(dimethylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(dimethylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(dimethylamino)-3-methyl-7-(3-phenylpropyl)xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2/c1-20(2)16-18-14-13(15(23)19-17(24)21(14)3)22(16)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,19,23,24)