N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitro-quinazolin-2-yl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitro-quinazolin-2-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitro-quinazolin-2-yl]sulfanylphenyl]acetamide CAS Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitro-2-quinazolinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-nitro-quinazolin-2-yl]thio]phenyl]acetamide Formula: C20H17N7O3S MolecularWeight: 435.45908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C20H17N7O3S/c1-11-9-18(26-25-11)23-19-16-8-5-14(27(29)30)10-17(16)22-20(24-19)31-15-6-3-13(4-7-15)21-12(2)28/h3-10H,1-2H3,(H,21,28)(H2,22,23,24,25,26)