N-methyl-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]hexanamide

Systemtic Name: N-methyl-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]hexanamide Openeye Name: N-methyl-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]hexanamide CAS Name: N-methyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(1-phenyl-4-pyrazolyl)methyl]hexanamide IUPAC Name: N-methyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]hexanamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H27N5O2S/c1-28(17-19-16-26-30(18-19)20-10-4-2-5-11-20)23(31)14-6-3-9-15-29-24(32)21-12-7-8-13-22(21)27-25(29)33/h2,4-5,7-8,10-13,16,18H,3,6,9,14-15,17H2,1H3,(H,27,33)