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

Systemtic Name: N2-cyclopentyl-6-nitro-N4-prop-2-enyl-quinazoline-2,4-diamine hydrochloride Openeye Name: N4-allyl-N2-cyclopentyl-6-nitro-quinazoline-2,4-diamine hydrochloride CAS Name: N2-cyclopentyl-6-nitro-N4-prop-2-enylquinazoline-2,4-diamine hydrochloride IUPAC Name: 2-N-cyclopentyl-6-nitro-4-N-prop-2-enylquinazoline-2,4-diamine hydrochloride Traditional Name: allyl-[2-(cyclopentylamino)-6-nitro-quinazolin-4-yl]amine hydrochloride Formula: C16H20ClN5O2 MolecularWeight: 349.8153

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NC3CCCC3.Cl

Isomeric SMILES

C=CCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NC3CCCC3.Cl

InChI

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