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

Systemtic Name: N4-heptyl-6-nitro-N2-prop-2-enyl-quinazoline-2,4-diamine hydrochloride Openeye Name: N2-allyl-N4-heptyl-6-nitro-quinazoline-2,4-diamine hydrochloride CAS Name: N4-heptyl-6-nitro-N2-prop-2-enylquinazoline-2,4-diamine hydrochloride IUPAC Name: 4-N-heptyl-6-nitro-2-N-prop-2-enylquinazoline-2,4-diamine hydrochloride Traditional Name: allyl-[4-(heptylamino)-6-nitro-quinazolin-2-yl]amine hydrochloride Formula: C18H26ClN5O2 MolecularWeight: 379.88434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC=C.Cl

Isomeric SMILES

CCCCCCCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC=C.Cl

InChI

InChI=1S/C18H25N5O2.ClH/c1-3-5-6-7-8-12-19-17-15-13-14(23(24)25)9-10-16(15)21-18(22-17)20-11-4-2;/h4,9-10,13H,2-3,5-8,11-12H2,1H3,(H2,19,20,21,22);1H