2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-(phenylmethyl)amino]ethanol

Systemtic Name: 2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-(phenylmethyl)amino]ethanol Openeye Name: 2-[benzyl-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]ethanol CAS Name: 2-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-(phenylmethyl)amino]ethanol IUPAC Name: 2-[benzyl-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]ethanol Traditional Name: 2-[benzyl-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]ethanol Formula: C19H18ClN5O3 MolecularWeight: 399.83092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCO)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCO)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN5O3/c20-15-6-8-16(9-7-15)22-19-21-12-17(25(27)28)18(23-19)24(10-11-26)13-14-4-2-1-3-5-14/h1-9,12,26H,10-11,13H2,(H,21,22,23)