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

Systemtic Name: N2-butyl-N4-methyl-6-nitro-N4-prop-2-enyl-quinazoline-2,4-diamine Openeye Name: N4-allyl-N2-butyl-N4-methyl-6-nitro-quinazoline-2,4-diamine CAS Name: N2-butyl-N4-methyl-6-nitro-N4-prop-2-enylquinazoline-2,4-diamine IUPAC Name: 2-N-butyl-4-N-methyl-6-nitro-4-N-prop-2-enylquinazoline-2,4-diamine Traditional Name: allyl-[2-(butylamino)-6-nitro-quinazolin-4-yl]-methyl-amine Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)N(C)CC=C

Isomeric SMILES

CCCCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)N(C)CC=C

InChI

InChI=1S/C16H21N5O2/c1-4-6-9-17-16-18-14-8-7-12(21(22)23)11-13(14)15(19-16)20(3)10-5-2/h5,7-8,11H,2,4,6,9-10H2,1,3H3,(H,17,18,19)