8-(4-dimethylaminophenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-(4-dimethylaminophenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(4-dimethylaminophenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(4-dimethylaminophenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-(4-dimethylaminophenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(4-dimethylaminophenyl)-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)N(C)C)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)N(C)C)CCOC

InChI

InChI=1S/C19H25N5O3/c1-5-10-24-17-15(18(25)21-19(24)26)23(11-12-27-4)16(20-17)13-6-8-14(9-7-13)22(2)3/h6-9H,5,10-12H2,1-4H3,(H,21,25,26)