phenyl N-azanyl-N'-[4-[4-[3-[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxidanylidene-quinazolin-7-yl]piperazin-1-yl]phenyl]carbamimidate

Systemtic Name: phenyl N-azanyl-N'-[4-[4-[3-[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxidanylidene-quinazolin-7-yl]piperazin-1-yl]phenyl]carbamimidate Openeye Name: 1-amino-3-[4-[4-[3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-oxo-quinazolin-7-yl]piperazin-1-yl]phenyl]-2-phenyl-isourea CAS Name: N-amino-N'-[4-[4-[3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxo-7-quinazolinyl]-1-piperazinyl]phenyl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-amino-N'-[4-[4-[3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxoquinazolin-7-yl]piperazin-1-yl]phenyl]carbamimidate Traditional Name: 1-amino-3-[4-[4-[3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]-4-keto-quinazolin-7-yl]piperazino]phenyl]-2-phenyl-isourea Formula: C37H36F2N10O3 MolecularWeight: 706.743746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)C=CC(=C4)N5CCN(CC5)C6=CC=C(C=C6)N=C(NN)OC7=CC=CC=C7

Isomeric SMILES

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)C=CC(=C4)N5CCN(CC5)C6=CC=C(C=C6)N=C(NN)OC7=CC=CC=C7

InChI

InChI=1S/C37H36F2N10O3/c1-25(37(51,21-48-23-41-22-43-48)32-14-7-26(38)19-33(32)39)49-24-42-34-20-29(12-13-31(34)35(49)50)47-17-15-46(16-18-47)28-10-8-27(9-11-28)44-36(45-40)52-30-5-3-2-4-6-30/h2-14,19-20,22-25,51H,15-18,21,40H2,1H3,(H,44,45)/t25-,37-/m1/s1