1-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-3-[4-[(6-nitroquinazolin-4-yl)amino]phenyl]urea

Systemtic Name: 1-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-3-[4-[(6-nitroquinazolin-4-yl)amino]phenyl]urea Openeye Name: 1-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]-3-[4-[(6-nitroquinazolin-4-yl)amino]phenyl]urea CAS Name: 1-[5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl]-3-[4-[(6-nitro-4-quinazolinyl)amino]phenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl]-3-[4-[(6-nitroquinazolin-4-yl)amino]phenyl]urea Traditional Name: 1-[5-tert-butyl-2-(m-tolyl)pyrazol-3-yl]-3-[4-[(6-nitroquinazolin-4-yl)amino]phenyl]urea Formula: C29H28N8O3 MolecularWeight: 536.58442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)NC4=NC=NC5=C4C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)NC4=NC=NC5=C4C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H28N8O3/c1-18-6-5-7-21(14-18)36-26(16-25(35-36)29(2,3)4)34-28(38)33-20-10-8-19(9-11-20)32-27-23-15-22(37(39)40)12-13-24(23)30-17-31-27/h5-17H,1-4H3,(H,30,31,32)(H2,33,34,38)