6-nitro-N4-prop-2-enyl-N2-(thiophen-2-ylmethyl)quinazoline-2,4-diamine hydrochloride

Systemtic Name: 6-nitro-N4-prop-2-enyl-N2-(thiophen-2-ylmethyl)quinazoline-2,4-diamine hydrochloride Openeye Name: N4-allyl-6-nitro-N2-(2-thienylmethyl)quinazoline-2,4-diamine hydrochloride CAS Name: 6-nitro-N4-prop-2-enyl-N2-(thiophen-2-ylmethyl)quinazoline-2,4-diamine hydrochloride IUPAC Name: 6-nitro-4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine hydrochloride Traditional Name: allyl-[6-nitro-2-(2-thenylamino)quinazolin-4-yl]amine hydrochloride Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC3=CC=CS3.Cl

Isomeric SMILES

C=CCNC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC3=CC=CS3.Cl

InChI

InChI=1S/C16H15N5O2S.ClH/c1-2-7-17-15-13-9-11(21(22)23)5-6-14(13)19-16(20-15)18-10-12-4-3-8-24-12;/h2-6,8-9H,1,7,10H2,(H2,17,18,19,20);1H