[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(7H-purin-6-yl)methanone

Systemtic Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(7H-purin-6-yl)methanone Openeye Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(7H-purin-6-yl)methanone CAS Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(7H-purin-6-yl)methanone IUPAC Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(7H-purin-6-yl)methanone Traditional Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(7H-purin-6-yl)methanone Formula: C25H22N8O MolecularWeight: 450.49518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)C3=C4C(=NC=N3)N=CN4)C=C(C=C2)C5=CC=CC=C5)CC6=CN=CN6

Isomeric SMILES

C1CN(C2=C(CN1C(=O)C3=C4C(=NC=N3)N=CN4)C=C(C=C2)C5=CC=CC=C5)CC6=CN=CN6

InChI

InChI=1S/C25H22N8O/c34-25(23-22-24(30-15-28-22)31-16-29-23)33-9-8-32(13-20-11-26-14-27-20)21-7-6-18(10-19(21)12-33)17-4-2-1-3-5-17/h1-7,10-11,14-16H,8-9,12-13H2,(H,26,27)(H,28,29,30,31)