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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

C=CCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

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