tert-butylcarbamoyl-(tert-butylcarbamoylamino)-(6-nitroquinazolin-4-yl)-prop-2-enyl-azanium

Systemtic Name: tert-butylcarbamoyl-(tert-butylcarbamoylamino)-(6-nitroquinazolin-4-yl)-prop-2-enyl-azanium Openeye Name: allyl-(tert-butylcarbamoyl)-(tert-butylcarbamoylamino)-(6-nitroquinazolin-4-yl)ammonium CAS Name: [(tert-butylamino)-oxomethyl]-[[(tert-butylamino)-oxomethyl]amino]-(6-nitro-4-quinazolinyl)-prop-2-enylammonium IUPAC Name: tert-butylcarbamoyl-(tert-butylcarbamoylamino)-(6-nitroquinazolin-4-yl)-prop-2-enylazanium Traditional Name: allyl-(tert-butylcarbamoyl)-(tert-butylcarbamoylamino)-(6-nitroquinazolin-4-yl)ammonium Formula: C21H30N7O4+ MolecularWeight: 444.5074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N[N+](CC=C)(C1=NC=NC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)NC(C)(C)C

Isomeric SMILES

CC(C)(C)NC(=O)N[N+](CC=C)(C1=NC=NC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)NC(C)(C)C

InChI

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