N2-butan-2-yl-6-nitro-N4-prop-2-enyl-quinazoline-2,4-diamine hydrochloride

Systemtic Name: N2-butan-2-yl-6-nitro-N4-prop-2-enyl-quinazoline-2,4-diamine hydrochloride Openeye Name: N4-allyl-6-nitro-N2-sec-butyl-quinazoline-2,4-diamine hydrochloride CAS Name: N2-butan-2-yl-6-nitro-N4-prop-2-enylquinazoline-2,4-diamine hydrochloride IUPAC Name: 2-N-butan-2-yl-6-nitro-4-N-prop-2-enylquinazoline-2,4-diamine hydrochloride Traditional Name: allyl-[6-nitro-2-(sec-butylamino)quinazolin-4-yl]amine hydrochloride Formula: C15H20ClN5O2 MolecularWeight: 337.8046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NCC=C.Cl

Isomeric SMILES

CCC(C)NC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NCC=C.Cl

InChI

InChI=1S/C15H19N5O2.ClH/c1-4-8-16-14-12-9-11(20(21)22)6-7-13(12)18-15(19-14)17-10(3)5-2;/h4,6-7,9-10H,1,5,8H2,2-3H3,(H2,16,17,18,19);1H