2-[2-[[(2S)-4-methylpentan-2-yl]amino]-5-phenylazanyl-phenyl]sulfanyl-1H-quinazolin-4-one

Systemtic Name: 2-[2-[[(2S)-4-methylpentan-2-yl]amino]-5-phenylazanyl-phenyl]sulfanyl-1H-quinazolin-4-one Openeye Name: 2-[5-anilino-2-[[(1S)-1,3-dimethylbutyl]amino]phenyl]sulfanyl-1H-quinazolin-4-one CAS Name: 2-[[5-anilino-2-[[(2S)-4-methylpentan-2-yl]amino]phenyl]thio]-1H-quinazolin-4-one IUPAC Name: 2-[5-anilino-2-[[(2S)-4-methylpentan-2-yl]amino]phenyl]sulfanyl-1H-quinazolin-4-one Traditional Name: 2-[[5-anilino-2-[[(1S)-1,3-dimethylbutyl]amino]phenyl]thio]-1H-quinazolin-4-one Formula: C26H28N4OS MolecularWeight: 444.59172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C[C@@H](CC(C)C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C26H28N4OS/c1-17(2)15-18(3)27-23-14-13-20(28-19-9-5-4-6-10-19)16-24(23)32-26-29-22-12-8-7-11-21(22)25(31)30-26/h4-14,16-18,27-28H,15H2,1-3H3,(H,29,30,31)/t18-/m0/s1