N-[4-[4-[(2-methylpyrazol-3-yl)amino]-7-nitro-quinazolin-2-yl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[4-[(2-methylpyrazol-3-yl)amino]-7-nitro-quinazolin-2-yl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[4-[(2-methylpyrazol-3-yl)amino]-7-nitro-quinazolin-2-yl]sulfanylphenyl]acetamide CAS Name: N-[4-[[4-[(2-methyl-3-pyrazolyl)amino]-7-nitro-2-quinazolinyl]thio]phenyl]acetamide IUPAC Name: N-[4-[4-[(2-methylpyrazol-3-yl)amino]-7-nitroquinazolin-2-yl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[4-[(2-methylpyrazol-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:

CC(=O)NC1=CC=C(C=C1)SC2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=N2)NC4=CC=NN4C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=N2)NC4=CC=NN4C

InChI

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