8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione

Systemtic Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione Openeye Name: 8-[(dibenzylamino)methyl]-3-methyl-7-(2-morpholinoethyl)purine-2,6-dione CAS Name: 8-[[bis(phenylmethyl)amino]methyl]-3-methyl-7-[2-(4-morpholinyl)ethyl]purine-2,6-dione IUPAC Name: 8-[(dibenzylamino)methyl]-3-methyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione Traditional Name: 8-[(dibenzylamino)methyl]-3-methyl-7-(2-morpholinoethyl)xanthine Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CCN5CCOCC5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CCN5CCOCC5

InChI

InChI=1S/C27H32N6O3/c1-30-25-24(26(34)29-27(30)35)33(13-12-31-14-16-36-17-15-31)23(28-25)20-32(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22/h2-11H,12-20H2,1H3,(H,29,34,35)