4-[[2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-bromanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide

Systemtic Name: 4-[[2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-bromanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide Openeye Name: 4-[[2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-6-bromo-4-oxo-quinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide CAS Name: 4-[[2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-6-bromo-4-oxo-3-quinazolinyl]methyl]-N-(2-methoxyethyl)benzamide IUPAC Name: 4-[[2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-6-bromo-4-oxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide Traditional Name: 4-[[2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-6-bromo-4-keto-quinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide Formula: C25H25BrN6O4S MolecularWeight: 585.4728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=CC=C(C=C4)C(=O)NCCOC)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=CC=C(C=C4)C(=O)NCCOC)N

InChI

InChI=1S/C25H25BrN6O4S/c1-15-11-21(27)30-32(15)22(33)14-37-25-29-20-8-7-18(26)12-19(20)24(35)31(25)13-16-3-5-17(6-4-16)23(34)28-9-10-36-2/h3-8,11-12H,9-10,13-14H2,1-2H3,(H2,27,30)(H,28,34)