1,3-diethyl-7-[(4-hydroxyphenyl)methyl]-8-(piperidin-4-ylamino)purine-2,6-dione

Systemtic Name: 1,3-diethyl-7-[(4-hydroxyphenyl)methyl]-8-(piperidin-4-ylamino)purine-2,6-dione Openeye Name: 1,3-diethyl-7-[(4-hydroxyphenyl)methyl]-8-(4-piperidylamino)purine-2,6-dione CAS Name: 1,3-diethyl-7-[(4-hydroxyphenyl)methyl]-8-(4-piperidinylamino)purine-2,6-dione IUPAC Name: 1,3-diethyl-7-[(4-hydroxyphenyl)methyl]-8-(piperidin-4-ylamino)purine-2,6-dione Traditional Name: 1,3-diethyl-7-(4-hydroxybenzyl)-8-(4-piperidylamino)xanthine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCNCC3)CC4=CC=C(C=C4)O

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCNCC3)CC4=CC=C(C=C4)O

InChI

InChI=1S/C21H28N6O3/c1-3-25-18-17(19(29)26(4-2)21(25)30)27(13-14-5-7-16(28)8-6-14)20(24-18)23-15-9-11-22-12-10-15/h5-8,15,22,28H,3-4,9-13H2,1-2H3,(H,23,24)