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

Systemtic Name: 6-nitro-N4-prop-2-enyl-N2-(thiophen-2-ylmethyl)quinazoline-2,4-diamine Openeye Name: N4-allyl-6-nitro-N2-(2-thienylmethyl)quinazoline-2,4-diamine CAS Name: 6-nitro-N4-prop-2-enyl-N2-(thiophen-2-ylmethyl)quinazoline-2,4-diamine IUPAC Name: 6-nitro-4-N-prop-2-enyl-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine Traditional Name: allyl-[6-nitro-2-(2-thenylamino)quinazolin-4-yl]amine Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O2S/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)