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

Systemtic Name: 1,3-diethyl-7-[(4-methoxyphenyl)methyl]-8-(piperidin-4-ylamino)purine-2,6-dione Openeye Name: 1,3-diethyl-7-[(4-methoxyphenyl)methyl]-8-(4-piperidylamino)purine-2,6-dione CAS Name: 1,3-diethyl-7-[(4-methoxyphenyl)methyl]-8-(4-piperidinylamino)purine-2,6-dione IUPAC Name: 1,3-diethyl-7-[(4-methoxyphenyl)methyl]-8-(piperidin-4-ylamino)purine-2,6-dione Traditional Name: 1,3-diethyl-7-p-anisyl-8-(4-piperidylamino)xanthine Formula: C22H30N6O3 MolecularWeight: 426.512

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O3/c1-4-26-19-18(20(29)27(5-2)22(26)30)28(14-15-6-8-17(31-3)9-7-15)21(25-19)24-16-10-12-23-13-11-16/h6-9,16,23H,4-5,10-14H2,1-3H3,(H,24,25)