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

Systemtic Name: N2-heptyl-6-nitro-N4-prop-2-enyl-quinazoline-2,4-diamine Openeye Name: N4-allyl-N2-heptyl-6-nitro-quinazoline-2,4-diamine CAS Name: N2-heptyl-6-nitro-N4-prop-2-enylquinazoline-2,4-diamine IUPAC Name: 2-N-heptyl-6-nitro-4-N-prop-2-enylquinazoline-2,4-diamine Traditional Name: allyl-[2-(heptylamino)-6-nitro-quinazolin-4-yl]amine Formula: C18H25N5O2 MolecularWeight: 343.4234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NCC=C

Isomeric SMILES

CCCCCCCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NCC=C

InChI

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