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

Systemtic Name: N2-cyclohexyl-6-nitro-N4-prop-2-enyl-quinazoline-2,4-diamine Openeye Name: N4-allyl-N2-cyclohexyl-6-nitro-quinazoline-2,4-diamine CAS Name: N2-cyclohexyl-6-nitro-N4-prop-2-enylquinazoline-2,4-diamine IUPAC Name: 2-N-cyclohexyl-6-nitro-4-N-prop-2-enylquinazoline-2,4-diamine Traditional Name: allyl-[2-(cyclohexylamino)-6-nitro-quinazolin-4-yl]amine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NC3CCCCC3

Isomeric SMILES

C=CCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NC3CCCCC3

InChI

InChI=1S/C17H21N5O2/c1-2-10-18-16-14-11-13(22(23)24)8-9-15(14)20-17(21-16)19-12-6-4-3-5-7-12/h2,8-9,11-12H,1,3-7,10H2,(H2,18,19,20,21)