6-nitro-N4-[(E)-3-phenylprop-2-enyl]-N2-prop-2-enyl-quinazoline-2,4-diamine hydrochloride

Systemtic Name: 6-nitro-N4-[(E)-3-phenylprop-2-enyl]-N2-prop-2-enyl-quinazoline-2,4-diamine hydrochloride Openeye Name: N2-allyl-N4-[(E)-cinnamyl]-6-nitro-quinazoline-2,4-diamine hydrochloride CAS Name: 6-nitro-N4-[(E)-3-phenylprop-2-enyl]-N2-prop-2-enylquinazoline-2,4-diamine hydrochloride IUPAC Name: 6-nitro-4-N-[(E)-3-phenylprop-2-enyl]-2-N-prop-2-enylquinazoline-2,4-diamine hydrochloride Traditional Name: allyl-[4-[[(E)-cinnamyl]amino]-6-nitro-quinazolin-2-yl]amine hydrochloride Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NCC=CC3=CC=CC=C3.Cl

Isomeric SMILES

C=CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NC/C=C/C3=CC=CC=C3.Cl

InChI

InChI=1S/C20H19N5O2.ClH/c1-2-12-22-20-23-18-11-10-16(25(26)27)14-17(18)19(24-20)21-13-6-9-15-7-4-3-5-8-15;/h2-11,14H,1,12-13H2,(H2,21,22,23,24);1H/b9-6+;