1,3-diethyl-7-[2-[(4-methoxyphenyl)methylamino]ethyl]purine-2,6-dione

Systemtic Name: 1,3-diethyl-7-[2-[(4-methoxyphenyl)methylamino]ethyl]purine-2,6-dione Openeye Name: 1,3-diethyl-7-[2-[(4-methoxyphenyl)methylamino]ethyl]purine-2,6-dione CAS Name: 1,3-diethyl-7-[2-[(4-methoxyphenyl)methylamino]ethyl]purine-2,6-dione IUPAC Name: 1,3-diethyl-7-[2-[(4-methoxyphenyl)methylamino]ethyl]purine-2,6-dione Traditional Name: 1,3-diethyl-7-[2-(p-anisylamino)ethyl]xanthine Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C=N2)CCNCC3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C=N2)CCNCC3=CC=C(C=C3)OC

InChI

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