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

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

Systemtic Name:N4-dodecyl-6-nitro-N2-prop-2-enyl-quinazoline-2,4-diamine
Openeye Name:N2-allyl-N4-dodecyl-6-nitro-quinazoline-2,4-diamine
CAS Name:N4-dodecyl-6-nitro-N2-prop-2-enylquinazoline-2,4-diamine
IUPAC Name:4-N-dodecyl-6-nitro-2-N-prop-2-enylquinazoline-2,4-diamine
Traditional Name:allyl-[4-(laurylamino)-6-nitro-quinazolin-2-yl]amine
Formula: C23H35N5O2
MolecularWeight: 413.5563
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC=C


Isomeric SMILES

CCCCCCCCCCCCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC=C


InChI

InChI=1S/C23H35N5O2/c1-3-5-6-7-8-9-10-11-12-13-17-24-22-20-18-19(28(29)30)14-15-21(20)26-23(27-22)25-16-4-2/h4,14-15,18H,2-3,5-13,16-17H2,1H3,(H2,24,25,26,27)


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