8-cyclopentyl-3-[2-(4-hydroxyphenyl)ethyl]-1-propyl-7H-purine-2,6-dione

Systemtic Name: 8-cyclopentyl-3-[2-(4-hydroxyphenyl)ethyl]-1-propyl-7H-purine-2,6-dione Openeye Name: 8-cyclopentyl-3-[2-(4-hydroxyphenyl)ethyl]-1-propyl-7H-purine-2,6-dione CAS Name: 8-cyclopentyl-3-[2-(4-hydroxyphenyl)ethyl]-1-propyl-7H-purine-2,6-dione IUPAC Name: 8-cyclopentyl-3-[2-(4-hydroxyphenyl)ethyl]-1-propyl-7H-purine-2,6-dione Traditional Name: 8-cyclopentyl-3-[2-(4-hydroxyphenyl)ethyl]-1-propyl-7H-purine-2,6-quinone Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC4=CC=C(C=C4)O

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC4=CC=C(C=C4)O

InChI

InChI=1S/C21H26N4O3/c1-2-12-25-20(27)17-19(23-18(22-17)15-5-3-4-6-15)24(21(25)28)13-11-14-7-9-16(26)10-8-14/h7-10,15,26H,2-6,11-13H2,1H3,(H,22,23)