N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H12N6O2S MolecularWeight: 328.34908

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=CC=CC=C3S2

Isomeric SMILES

C=CCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H12N6O2S/c1-2-7-15-12-11(20(21)22)13(17-8-16-12)19-14-18-9-5-3-4-6-10(9)23-14/h2-6,8H,1,7H2,(H2,15,16,17,18,19)