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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[5-nitro-6-(o-phenetidino)pyrimidin-4-yl]amine Formula: C19H16N6O3S MolecularWeight: 408.43374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O3S/c1-2-28-14-9-5-3-7-12(14)22-17-16(25(26)27)18(21-11-20-17)24-19-23-13-8-4-6-10-15(13)29-19/h3-11H,2H2,1H3,(H2,20,21,22,23,24)