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

Systemtic Name: 8-(1,4-diazepan-1-yl)-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-8-(1,4-diazepan-1-yl)purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-8-(1,4-diazepan-1-yl)purine-2,6-dione Traditional Name: 3,7-dibenzyl-8-(1,4-diazepan-1-yl)xanthine Formula: C24H26N6O2 MolecularWeight: 430.50224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O2/c31-22-20-21(30(24(32)27-22)17-19-10-5-2-6-11-19)26-23(28-14-7-12-25-13-15-28)29(20)16-18-8-3-1-4-9-18/h1-6,8-11,25H,7,12-17H2,(H,27,31,32)