1,3-dimethyl-8-(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepin-2-yl)-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepin-2-yl)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepin-2-yl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepin-2-yl)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepin-2-yl)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepin-2-yl)-7H-purine-2,6-quinone Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(N(CC2=CC=CC=C21)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C)(C)C)C

Isomeric SMILES

CC1(CC(N(CC2=CC=CC=C21)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C)(C)C)C

InChI

InChI=1S/C21H27N5O2/c1-20(2)12-21(3,4)26(11-13-9-7-8-10-14(13)20)18-22-15-16(23-18)24(5)19(28)25(6)17(15)27/h7-10H,11-12H2,1-6H3,(H,22,23)