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

Systemtic Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O2S/c1-13-6-5-9-15-16(13)24-20(29-15)25-19-17(26(27)28)18(22-12-23-19)21-11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H2,21,22,23,24,25)