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

Systemtic Name: N-[2-[2-(3-azanyl-5-methyl-pyrazol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzamide Openeye Name: N-[2-[2-(3-amino-5-methyl-pyrazol-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]benzamide CAS Name: N-[2-[[2-(3-amino-5-methyl-1-pyrazolyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzamide IUPAC Name: N-[2-[2-(3-amino-5-methylpyrazol-1-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide Traditional Name: N-[2-[[2-(3-amino-5-methyl-pyrazol-1-yl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]benzamide Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CC=C4)N

Isomeric SMILES

CC1=CC(=NN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C21H18N6O3S/c1-13-11-17(22)24-26(13)18(28)12-31-21-23-16-10-6-5-9-15(16)20(30)27(21)25-19(29)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,22,24)(H,25,29)