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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(furan-2-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(2-furylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(2-furanylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H12N6O3S MolecularWeight: 368.36988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=NC=N3)NCC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=NC=N3)NCC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O3S/c23-22(24)13-14(17-8-10-4-3-7-25-10)18-9-19-15(13)21-16-20-11-5-1-2-6-12(11)26-16/h1-7,9H,8H2,(H2,17,18,19,20,21)