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

Systemtic Name: 6-nitro-N4-prop-2-enyl-N2-prop-2-ynyl-quinazoline-2,4-diamine Openeye Name: N4-allyl-6-nitro-N2-prop-2-ynyl-quinazoline-2,4-diamine CAS Name: 6-nitro-N4-prop-2-enyl-N2-prop-2-ynylquinazoline-2,4-diamine IUPAC Name: 6-nitro-4-N-prop-2-enyl-2-N-prop-2-ynylquinazoline-2,4-diamine Traditional Name: allyl-[6-nitro-2-(propargylamino)quinazolin-4-yl]amine Formula: C14H13N5O2 MolecularWeight: 283.28532

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC#C

Isomeric SMILES

C=CCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC#C

InChI

InChI=1S/C14H13N5O2/c1-3-7-15-13-11-9-10(19(20)21)5-6-12(11)17-14(18-13)16-8-4-2/h2-3,5-6,9H,1,7-8H2,(H2,15,16,17,18)