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

Systemtic Name: N6-(4-ethoxyphenyl)-N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-ethoxyphenyl)-N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-ethoxyphenyl)-N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-ethoxyphenyl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (6-methyl-1,3-benzothiazol-2-yl)-[5-nitro-6-(p-phenetidino)pyrimidin-4-yl]amine Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O3S/c1-3-29-14-7-5-13(6-8-14)23-18-17(26(27)28)19(22-11-21-18)25-20-24-15-9-4-12(2)10-16(15)30-20/h4-11H,3H2,1-2H3,(H2,21,22,23,24,25)