N-[(4-methylphenyl)methyl]-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(p-tolylmethyl)-2-[4-(tetrahydrofuran-2-ylmethylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[4-(2-oxolanylmethylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-methylbenzyl)-2-[[4-(tetrahydrofurfurylamino)quinazolin-2-yl]thio]acetamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4CCCO4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4CCCO4

InChI

InChI=1S/C23H26N4O2S/c1-16-8-10-17(11-9-16)13-24-21(28)15-30-23-26-20-7-3-2-6-19(20)22(27-23)25-14-18-5-4-12-29-18/h2-3,6-11,18H,4-5,12-15H2,1H3,(H,24,28)(H,25,26,27)