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

Systemtic Name: 3-tert-butyl-1-[4-(tert-butylcarbamoylamino)-6-nitro-quinazolin-2-yl]-1-prop-2-enyl-urea Openeye Name: 1-allyl-3-tert-butyl-1-[4-(tert-butylcarbamoylamino)-6-nitro-quinazolin-2-yl]urea CAS Name: 3-tert-butyl-1-[4-[[(tert-butylamino)-oxomethyl]amino]-6-nitro-2-quinazolinyl]-1-prop-2-enylurea IUPAC Name: 3-tert-butyl-1-[4-(tert-butylcarbamoylamino)-6-nitroquinazolin-2-yl]-1-prop-2-enylurea Traditional Name: 1-allyl-3-tert-butyl-1-[4-(tert-butylcarbamoylamino)-6-nitro-quinazolin-2-yl]urea Formula: C21H29N7O4 MolecularWeight: 443.49946

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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-])N(CC=C)C(=O)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29N7O4/c1-8-11-27(19(30)26-21(5,6)7)17-22-15-10-9-13(28(31)32)12-14(15)16(23-17)24-18(29)25-20(2,3)4/h8-10,12H,1,11H2,2-7H3,(H,26,30)(H2,22,23,24,25,29)