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

Systemtic Name: N-[4-[4-azanyl-5-(5-methyl-1H-pyrazol-3-yl)-7-nitro-quinazolin-2-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-7-nitro-quinazolin-2-yl]sulfanylphenyl]acetamide CAS Name: N-[4-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-7-nitro-2-quinazolinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-7-nitroquinazolin-2-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-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)C2=CC(=CC3=C2C(=NC(=N3)SC4=CC=C(C=C4)NC(=O)C)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1)C2=CC(=CC3=C2C(=NC(=N3)SC4=CC=C(C=C4)NC(=O)C)N)[N+](=O)[O-]

InChI

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