3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-2,2-dimethyl-propan-1-ol

Systemtic Name: 3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-2,2-dimethyl-propan-1-ol Openeye Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-2,2-dimethyl-propan-1-ol CAS Name: 3-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-2,2-dimethyl-1-propanol IUPAC Name: 3-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol Traditional Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-2,2-dimethyl-propan-1-ol Formula: C15H18ClN5O3 MolecularWeight: 351.78812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl)CO

Isomeric SMILES

CC(C)(CNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl)CO

InChI

InChI=1S/C15H18ClN5O3/c1-15(2,9-22)8-18-13-12(21(23)24)7-17-14(20-13)19-11-5-3-10(16)4-6-11/h3-7,22H,8-9H2,1-2H3,(H2,17,18,19,20)