5-[2-(diphenylmethyl)oxyethyl]-3,7-dimethyl-8,9-dihydro-4H-purine-2,6-dione

Systemtic Name: 5-[2-(diphenylmethyl)oxyethyl]-3,7-dimethyl-8,9-dihydro-4H-purine-2,6-dione Openeye Name: 5-(2-benzhydryloxyethyl)-3,7-dimethyl-8,9-dihydro-4H-purine-2,6-dione CAS Name: 5-[2-(diphenylmethyl)oxyethyl]-3,7-dimethyl-8,9-dihydro-4H-purine-2,6-dione IUPAC Name: 5-(2-benzhydryloxyethyl)-3,7-dimethyl-8,9-dihydro-4H-purine-2,6-dione Traditional Name: 5-(2-benzhydryloxyethyl)-3,7-dimethyl-8,9-dihydro-4H-purine-2,6-quinone Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CN1CNC2C1(C(=O)NC(=O)N2C)CCOC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1CNC2C1(C(=O)NC(=O)N2C)CCOC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O3/c1-25-15-23-19-22(25,20(27)24-21(28)26(19)2)13-14-29-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-19,23H,13-15H2,1-2H3,(H,24,27,28)