2-methyl-5-[4-[2-[4-(methylamino)quinazolin-2-yl]sulfanylethanoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-methyl-5-[4-[2-[4-(methylamino)quinazolin-2-yl]sulfanylethanoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-methyl-5-[4-[2-[4-(methylamino)quinazolin-2-yl]sulfanylacetyl]piperazin-1-yl]oxazole-4-carbonitrile CAS Name: 2-methyl-5-[4-[2-[[4-(methylamino)-2-quinazolinyl]thio]-1-oxoethyl]-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-methyl-5-[4-[2-[4-(methylamino)quinazolin-2-yl]sulfanylacetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-methyl-5-[4-[2-[[4-(methylamino)quinazolin-2-yl]thio]acetyl]piperazino]oxazole-4-carbonitrile Formula: C20H21N7O2S MolecularWeight: 423.49144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC)C#N

Isomeric SMILES

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NC)C#N

InChI

InChI=1S/C20H21N7O2S/c1-13-23-16(11-21)19(29-13)27-9-7-26(8-10-27)17(28)12-30-20-24-15-6-4-3-5-14(15)18(22-2)25-20/h3-6H,7-10,12H2,1-2H3,(H,22,24,25)