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

Systemtic Name: N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N6-(4-isopropylphenyl)-N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C21H20N6O2S/c1-12(2)14-5-7-15(8-6-14)24-19-18(27(28)29)20(23-11-22-19)26-21-25-16-9-4-13(3)10-17(16)30-21/h4-12H,1-3H3,(H2,22,23,24,25,26)