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

Systemtic Name: 6-nitro-N2-pentyl-N4-prop-2-enyl-quinazoline-2,4-diamine hydrochloride Openeye Name: N4-allyl-6-nitro-N2-pentyl-quinazoline-2,4-diamine hydrochloride CAS Name: 6-nitro-N2-pentyl-N4-prop-2-enylquinazoline-2,4-diamine hydrochloride IUPAC Name: 6-nitro-2-N-pentyl-4-N-prop-2-enylquinazoline-2,4-diamine hydrochloride Traditional Name: allyl-[2-(amylamino)-6-nitro-quinazolin-4-yl]amine hydrochloride Formula: C16H22ClN5O2 MolecularWeight: 351.83118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NCC=C.Cl

Isomeric SMILES

CCCCCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NCC=C.Cl

InChI

InChI=1S/C16H21N5O2.ClH/c1-3-5-6-10-18-16-19-14-8-7-12(21(22)23)11-13(14)15(20-16)17-9-4-2;/h4,7-8,11H,2-3,5-6,9-10H2,1H3,(H2,17,18,19,20);1H