7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione Openeye Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 5-ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: (7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)-methyl-amine; 5-ethyl-5-phenyl-barbituric acid Formula: C116H106Cl5N21O14 MolecularWeight: 2195.48014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O

Isomeric SMILES

CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O

InChI

InChI=1S/5C16H14ClN3O.3C12H12N2O3/c5*1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;3*1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h5*2-9,21H,10H2,1H3;3*3-7H,2H2,1H3,(H2,13,14,15,16,17)