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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H14N6O2S MolecularWeight: 414.43986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N6O2S/c28-27(29)18-19(24-15-10-5-7-13-6-1-2-8-14(13)15)22-12-23-20(18)26-21-25-16-9-3-4-11-17(16)30-21/h1-12H,(H2,22,23,24,25,26)