8-(ethylamino)-1-methyl-7-(3-phenylpropyl)-3H-purine-2,6-dione

Systemtic Name: 8-(ethylamino)-1-methyl-7-(3-phenylpropyl)-3H-purine-2,6-dione Openeye Name: 8-(ethylamino)-1-methyl-7-(3-phenylpropyl)-3H-purine-2,6-dione CAS Name: 8-(ethylamino)-1-methyl-7-(3-phenylpropyl)-3H-purine-2,6-dione IUPAC Name: 8-(ethylamino)-1-methyl-7-(3-phenylpropyl)-3H-purine-2,6-dione Traditional Name: 8-(ethylamino)-1-methyl-7-(3-phenylpropyl)xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2)C

Isomeric SMILES

CCNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2)C

InChI

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