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

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

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

Canonical SMILES:

CCCCCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC=C.Cl


Isomeric SMILES

CCCCCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC=C.Cl


InChI

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


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