N-cyclohexyl-4-oxidanylidene-3-phenethyl-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: N-cyclohexyl-4-oxidanylidene-3-phenethyl-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: N-cyclohexyl-4-oxo-3-phenethyl-2-(4-pyridylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: N-cyclohexyl-4-oxo-3-phenethyl-2-(pyridin-4-ylmethylthio)-7-quinazolinecarboxamide IUPAC Name: N-cyclohexyl-4-oxo-3-phenethyl-2-(pyridin-4-ylmethylsulfanyl)quinazoline-7-carboxamide Traditional Name: N-cyclohexyl-4-keto-3-phenethyl-2-(4-pyridylmethylthio)quinazoline-7-carboxamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=NC=C4)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=NC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2S/c34-27(31-24-9-5-2-6-10-24)23-11-12-25-26(19-23)32-29(36-20-22-13-16-30-17-14-22)33(28(25)35)18-15-21-7-3-1-4-8-21/h1,3-4,7-8,11-14,16-17,19,24H,2,5-6,9-10,15,18,20H2,(H,31,34)