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

Systemtic Name: 8-(1,4-diazepan-1-yl)-3,7-bis(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 3,7-dibenzyl-8-(1,4-diazepan-1-yl)-1-propyl-purine-2,6-dione CAS Name: 8-(1,4-diazepan-1-yl)-3,7-bis(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3,7-dibenzyl-8-(1,4-diazepan-1-yl)-1-propylpurine-2,6-dione Traditional Name: 3,7-dibenzyl-8-(1,4-diazepan-1-yl)-1-propyl-xanthine Formula: C27H32N6O2 MolecularWeight: 472.58198

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCCNCC4)N(C1=O)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)N4CCCNCC4)N(C1=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H32N6O2/c1-2-16-31-25(34)23-24(33(27(31)35)20-22-12-7-4-8-13-22)29-26(30-17-9-14-28-15-18-30)32(23)19-21-10-5-3-6-11-21/h3-8,10-13,28H,2,9,14-20H2,1H3