1-tert-butyl-3-[6-nitro-2-(prop-2-enylamino)quinazolin-4-yl]urea

Systemtic Name: 1-tert-butyl-3-[6-nitro-2-(prop-2-enylamino)quinazolin-4-yl]urea Openeye Name: 1-[2-(allylamino)-6-nitro-quinazolin-4-yl]-3-tert-butyl-urea CAS Name: 1-tert-butyl-3-[6-nitro-2-(prop-2-enylamino)-4-quinazolinyl]urea IUPAC Name: 1-tert-butyl-3-[6-nitro-2-(prop-2-enylamino)quinazolin-4-yl]urea Traditional Name: 1-[2-(allylamino)-6-nitro-quinazolin-4-yl]-3-tert-butyl-urea Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC=C

Isomeric SMILES

CC(C)(C)NC(=O)NC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC=C

InChI

InChI=1S/C16H20N6O3/c1-5-8-17-14-18-12-7-6-10(22(24)25)9-11(12)13(19-14)20-15(23)21-16(2,3)4/h5-7,9H,1,8H2,2-4H3,(H3,17,18,19,20,21,23)