2-(cyclohexylmethyl)-4-[[4-(dimethylamino)-5-methyl-pyrimidin-2-yl]amino]-3-nitro-benzamide

Systemtic Name: 2-(cyclohexylmethyl)-4-[[4-(dimethylamino)-5-methyl-pyrimidin-2-yl]amino]-3-nitro-benzamide Openeye Name: 2-(cyclohexylmethyl)-4-[[4-(dimethylamino)-5-methyl-pyrimidin-2-yl]amino]-3-nitro-benzamide CAS Name: 2-(cyclohexylmethyl)-4-[[4-(dimethylamino)-5-methyl-2-pyrimidinyl]amino]-3-nitrobenzamide IUPAC Name: 2-(cyclohexylmethyl)-4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-nitrobenzamide Traditional Name: 2-(cyclohexylmethyl)-4-[[4-(dimethylamino)-5-methyl-pyrimidin-2-yl]amino]-3-nitro-benzamide Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1N(C)C)NC2=C(C(=C(C=C2)C(=O)N)CC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C(N=C1N(C)C)NC2=C(C(=C(C=C2)C(=O)N)CC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N6O3/c1-13-12-23-21(25-20(13)26(2)3)24-17-10-9-15(19(22)28)16(18(17)27(29)30)11-14-7-5-4-6-8-14/h9-10,12,14H,4-8,11H2,1-3H3,(H2,22,28)(H,23,24,25)