8-(1,4-diazepan-1-yl)-1-(2-hydroxyethyl)-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(1,4-diazepan-1-yl)-1-(2-hydroxyethyl)-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-8-(1,4-diazepan-1-yl)-1-(2-hydroxyethyl)purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-1-(2-hydroxyethyl)-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-8-(1,4-diazepan-1-yl)-1-(2-hydroxyethyl)purine-2,6-dione Traditional Name: 3,7-dibenzyl-8-(1,4-diazepan-1-yl)-1-(2-hydroxyethyl)xanthine Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3CC5=CC=CC=C5)CCO

Isomeric SMILES

C1CNCCN(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3CC5=CC=CC=C5)CCO

InChI

InChI=1S/C26H30N6O3/c33-17-16-30-24(34)22-23(32(26(30)35)19-21-10-5-2-6-11-21)28-25(29-14-7-12-27-13-15-29)31(22)18-20-8-3-1-4-9-20/h1-6,8-11,27,33H,7,12-19H2