4-[[2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide

Systemtic Name: 4-[[2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[[2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C30H34N6O3S MolecularWeight: 558.69436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCCC5=CC=CC=C5)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCCC5=CC=CC=C5)N

InChI

InChI=1S/C30H34N6O3S/c1-20-17-26(31)34-36(20)27(37)19-40-30-33-25-10-6-5-9-24(25)29(39)35(30)18-22-11-13-23(14-12-22)28(38)32-16-15-21-7-3-2-4-8-21/h2-10,17,22-23H,11-16,18-19H2,1H3,(H2,31,34)(H,32,38)