6-nitro-N4-(phenylmethyl)-N2-prop-2-enyl-quinazoline-2,4-diamine

Systemtic Name: 6-nitro-N4-(phenylmethyl)-N2-prop-2-enyl-quinazoline-2,4-diamine Openeye Name: N2-allyl-N4-benzyl-6-nitro-quinazoline-2,4-diamine CAS Name: 6-nitro-N4-(phenylmethyl)-N2-prop-2-enylquinazoline-2,4-diamine IUPAC Name: 4-N-benzyl-6-nitro-2-N-prop-2-enylquinazoline-2,4-diamine Traditional Name: allyl-[4-(benzylamino)-6-nitro-quinazolin-2-yl]amine Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NCC3=CC=CC=C3

Isomeric SMILES

C=CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NCC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O2/c1-2-10-19-18-21-16-9-8-14(23(24)25)11-15(16)17(22-18)20-12-13-6-4-3-5-7-13/h2-9,11H,1,10,12H2,(H2,19,20,21,22)