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

Systemtic Name: N4-cyclopentyl-6-nitro-N2-prop-2-enyl-quinazoline-2,4-diamine Openeye Name: N2-allyl-N4-cyclopentyl-6-nitro-quinazoline-2,4-diamine CAS Name: N4-cyclopentyl-6-nitro-N2-prop-2-enylquinazoline-2,4-diamine IUPAC Name: 4-N-cyclopentyl-6-nitro-2-N-prop-2-enylquinazoline-2,4-diamine Traditional Name: allyl-[4-(cyclopentylamino)-6-nitro-quinazolin-2-yl]amine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NC3CCCC3

Isomeric SMILES

C=CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)NC3CCCC3

InChI

InChI=1S/C16H19N5O2/c1-2-9-17-16-19-14-8-7-12(21(22)23)10-13(14)15(20-16)18-11-5-3-4-6-11/h2,7-8,10-11H,1,3-6,9H2,(H2,17,18,19,20)