4-[4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]butyl]phenol

Systemtic Name: 4-[4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]butyl]phenol Openeye Name: 4-[4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]butyl]phenol CAS Name: 4-[4-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]butyl]phenol IUPAC Name: 4-[4-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]butyl]phenol Traditional Name: 4-[4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]butyl]phenol Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1=CC(=CC=C1CCCCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H20ClN5O3/c21-15-6-8-16(9-7-15)24-20-23-13-18(26(28)29)19(25-20)22-12-2-1-3-14-4-10-17(27)11-5-14/h4-11,13,27H,1-3,12H2,(H2,22,23,24,25)