2-methyl-6-[[[4-(1-methylsulfonyl-2-oxidanylidene-2-phenyl-ethyl)phenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-methyl-6-[[[4-(1-methylsulfonyl-2-oxidanylidene-2-phenyl-ethyl)phenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-methyl-6-[[4-(1-methylsulfonyl-2-oxo-2-phenyl-ethyl)-N-prop-2-ynyl-anilino]methyl]-1H-quinazolin-4-one CAS Name: 2-methyl-6-[[4-(1-methylsulfonyl-2-oxo-2-phenylethyl)-N-prop-2-ynylanilino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-methyl-6-[[4-(1-methylsulfonyl-2-oxo-2-phenylethyl)-N-prop-2-ynylanilino]methyl]-1H-quinazolin-4-one Traditional Name: 6-[[4-(2-keto-1-mesyl-2-phenyl-ethyl)-N-propargyl-anilino]methyl]-2-methyl-1H-quinazolin-4-one Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(C(=O)C4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(C(=O)C4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C28H25N3O4S/c1-4-16-31(18-20-10-15-25-24(17-20)28(33)30-19(2)29-25)23-13-11-22(12-14-23)27(36(3,34)35)26(32)21-8-6-5-7-9-21/h1,5-15,17,27H,16,18H2,2-3H3,(H,29,30,33)