2-[[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[[(R)-(4-isobutylphenyl)-(2-thienyl)methyl]amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[[(R)-(4-isobutylphenyl)-(2-thienyl)methyl]amino]methyl]-1H-quinazolin-4-one Formula: C24H25N3OS MolecularWeight: 403.5398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C2=CC=CS2)NCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)[C@H](C2=CC=CS2)NCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C24H25N3OS/c1-16(2)14-17-9-11-18(12-10-17)23(21-8-5-13-29-21)25-15-22-26-20-7-4-3-6-19(20)24(28)27-22/h3-13,16,23,25H,14-15H2,1-2H3,(H,26,27,28)/t23-/m1/s1