1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-(2-morpholino-2-oxo-ethyl)purine-2,6-dione CAS Name: 1-[2-(4-morpholinyl)-2-oxoethyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-(2-morpholin-4-yl-2-oxoethyl)purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-(2-keto-2-morpholino-ethyl)xanthine Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O4/c31-21(27-11-13-34-14-12-27)17-30-24(32)22-23(26-18-28(22)15-19-7-3-1-4-8-19)29(25(30)33)16-20-9-5-2-6-10-20/h1-10,18H,11-17H2