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

Systemtic Name: 2-[2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethyl]phenol Openeye Name: 2-[2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]ethyl]phenol CAS Name: 2-[2-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]ethyl]phenol IUPAC Name: 2-[2-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]ethyl]phenol Traditional Name: 2-[2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]ethyl]phenol Formula: C18H16ClN5O3 MolecularWeight: 385.80434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1=CC=C(C(=C1)CCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C18H16ClN5O3/c19-13-5-7-14(8-6-13)22-18-21-11-15(24(26)27)17(23-18)20-10-9-12-3-1-2-4-16(12)25/h1-8,11,25H,9-10H2,(H2,20,21,22,23)