4-methyl-5-[2-[4-(methylamino)quinazolin-2-yl]sulfanylethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: 4-methyl-5-[2-[4-(methylamino)quinazolin-2-yl]sulfanylethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 4-methyl-5-[2-[4-(methylamino)quinazolin-2-yl]sulfanylacetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 4-methyl-5-[2-[[4-(methylamino)-2-quinazolinyl]thio]-1-oxoethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 4-methyl-5-[2-[4-(methylamino)quinazolin-2-yl]sulfanylacetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 4-methyl-5-[2-[[4-(methylamino)quinazolin-2-yl]thio]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC

InChI

InChI=1S/C21H21N5O2S/c1-13-11-18(27)23-16-9-5-6-10-17(16)26(13)19(28)12-29-21-24-15-8-4-3-7-14(15)20(22-2)25-21/h3-10,13H,11-12H2,1-2H3,(H,23,27)(H,22,24,25)