N2-(2,2-dimethylpropyl)-6-nitro-N4-prop-2-enyl-quinazoline-2,4-diamine

Systemtic Name: N2-(2,2-dimethylpropyl)-6-nitro-N4-prop-2-enyl-quinazoline-2,4-diamine Openeye Name: N4-allyl-N2-(2,2-dimethylpropyl)-6-nitro-quinazoline-2,4-diamine CAS Name: N2-(2,2-dimethylpropyl)-6-nitro-N4-prop-2-enylquinazoline-2,4-diamine IUPAC Name: 2-N-(2,2-dimethylpropyl)-6-nitro-4-N-prop-2-enylquinazoline-2,4-diamine Traditional Name: allyl-[2-(neopentylamino)-6-nitro-quinazolin-4-yl]amine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NCC=C

Isomeric SMILES

CC(C)(C)CNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NCC=C

InChI

InChI=1S/C16H21N5O2/c1-5-8-17-14-12-9-11(21(22)23)6-7-13(12)19-15(20-14)18-10-16(2,3)4/h5-7,9H,1,8,10H2,2-4H3,(H2,17,18,19,20)