6-nitro-N2-piperidin-1-yl-N4-prop-2-enyl-quinazoline-2,4-diamine

Systemtic Name: 6-nitro-N2-piperidin-1-yl-N4-prop-2-enyl-quinazoline-2,4-diamine Openeye Name: N4-allyl-6-nitro-N2-(1-piperidyl)quinazoline-2,4-diamine CAS Name: 6-nitro-N2-(1-piperidinyl)-N4-prop-2-enylquinazoline-2,4-diamine IUPAC Name: 6-nitro-2-N-piperidin-1-yl-4-N-prop-2-enylquinazoline-2,4-diamine Traditional Name: allyl-[6-nitro-2-(piperidinoamino)quinazolin-4-yl]amine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NN3CCCCC3

Isomeric SMILES

C=CCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NN3CCCCC3

InChI

InChI=1S/C16H20N6O2/c1-2-8-17-15-13-11-12(22(23)24)6-7-14(13)18-16(19-15)20-21-9-4-3-5-10-21/h2,6-7,11H,1,3-5,8-10H2,(H2,17,18,19,20)