(4R,4aS,7S)-2-(1,3-benzoxazol-2-ylamino)-4-[3,5-bis(fluoranyl)phenyl]-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinazolin-5-one

Systemtic Name: (4R,4aS,7S)-2-(1,3-benzoxazol-2-ylamino)-4-[3,5-bis(fluoranyl)phenyl]-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinazolin-5-one Openeye Name: (4R,4aS,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinazolin-5-one CAS Name: (4R,4aS,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinazolin-5-one IUPAC Name: (4R,4aS,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinazolin-5-one Traditional Name: (4R,4aS,7S)-2-(1,3-benzoxazol-2-ylamino)-4-(3,5-difluorophenyl)-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinazolin-5-one Formula: C25H18F2N4O2S MolecularWeight: 476.497826

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=C2C(C1=O)C(N=C(N2)NC3=NC4=CC=CC=C4O3)C5=CC(=CC(=C5)F)F)C6=CC=CS6

Isomeric SMILES

C1[C@@H](C=C2[C@@H](C1=O)[C@@H](N=C(N2)NC3=NC4=CC=CC=C4O3)C5=CC(=CC(=C5)F)F)C6=CC=CS6

InChI

InChI=1S/C25H18F2N4O2S/c26-15-8-14(9-16(27)12-15)23-22-18(10-13(11-19(22)32)21-6-3-7-34-21)28-24(30-23)31-25-29-17-4-1-2-5-20(17)33-25/h1-10,12-13,22-23H,11H2,(H2,28,29,30,31)/t13-,22+,23+/m1/s1