1-[3-(4-azanyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[3-(4-azanyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[3-(4-amino-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[3-(4-amino-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[3-(4-amino-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[3-(4-amino-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Formula: C21H18F3N7O MolecularWeight: 441.40913

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=C(C(=NC=N2)N)N=C1C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CNC2=C(C(=NC=N2)N)N=C1C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H18F3N7O/c22-21(23,24)13-4-2-6-15(10-13)30-20(32)29-14-5-1-3-12(9-14)16-7-8-26-19-17(31-16)18(25)27-11-28-19/h1-6,9-11H,7-8H2,(H2,29,30,32)(H3,25,26,27,28)