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

Systemtic Name: 3-methyl-7-(2-phenoxyethyl)-8-(propylamino)purine-2,6-dione Openeye Name: 3-methyl-7-(2-phenoxyethyl)-8-(propylamino)purine-2,6-dione CAS Name: 3-methyl-7-(2-phenoxyethyl)-8-(propylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-phenoxyethyl)-8-(propylamino)purine-2,6-dione Traditional Name: 3-methyl-7-(2-phenoxyethyl)-8-(propylamino)xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CCCNC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H21N5O3/c1-3-9-18-16-19-14-13(15(23)20-17(24)21(14)2)22(16)10-11-25-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,18,19)(H,20,23,24)