N4-(4,5-dimethyl-1,3-thiazol-2-yl)-N6-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4,5-dimethyl-1,3-thiazol-2-yl)-N6-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4,5-dimethylthiazol-2-yl)-N6-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4,5-dimethyl-2-thiazolyl)-N6-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4,5-dimethylthiazol-2-yl)-[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H14N6O3S MolecularWeight: 346.36436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NCC3=CC=CO3)[N+](=O)[O-])C

InChI

InChI=1S/C14H14N6O3S/c1-8-9(2)24-14(18-8)19-13-11(20(21)22)12(16-7-17-13)15-6-10-4-3-5-23-10/h3-5,7H,6H2,1-2H3,(H2,15,16,17,18,19)