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

Systemtic Name: N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine Openeye Name: N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine CAS Name: N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N4-(1-phenylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-[5-nitro-6-(1-phenylethylamino)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)NC(C)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O2S/c1-12-7-6-10-15-16(12)24-20(29-15)25-19-17(26(27)28)18(21-11-22-19)23-13(2)14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H2,21,22,23,24,25)