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

Systemtic Name: 2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-(phenylmethyl)amino]-2-phenyl-ethanol Openeye Name: 2-[benzyl-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-2-phenyl-ethanol CAS Name: 2-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-(phenylmethyl)amino]-2-phenylethanol IUPAC Name: 2-[benzyl-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]-2-phenylethanol Traditional Name: 2-[benzyl-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-2-phenyl-ethanol Formula: C25H22ClN5O3 MolecularWeight: 475.92688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)C(CO)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)C(CO)C4=CC=CC=C4

InChI

InChI=1S/C25H22ClN5O3/c26-20-11-13-21(14-12-20)28-25-27-15-22(31(33)34)24(29-25)30(16-18-7-3-1-4-8-18)23(17-32)19-9-5-2-6-10-19/h1-15,23,32H,16-17H2,(H,27,28,29)