7-[2-(4-hydroxyphenyl)ethyl]-8-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 7-[2-(4-hydroxyphenyl)ethyl]-8-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-[2-(4-hydroxyphenyl)ethyl]-8-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 7-[2-(4-hydroxyphenyl)ethyl]-8-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-[2-(4-hydroxyphenyl)ethyl]-8-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 7-[2-(4-hydroxyphenyl)ethyl]-8-methyl-1,3-dipropyl-xanthine Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C)CCC3=CC=C(C=C3)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C)CCC3=CC=C(C=C3)O

InChI

InChI=1S/C20H26N4O3/c1-4-11-23-18-17(19(26)24(12-5-2)20(23)27)22(14(3)21-18)13-10-15-6-8-16(25)9-7-15/h6-9,25H,4-5,10-13H2,1-3H3