3-[2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethyl]phenol

Systemtic Name: 3-[2-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethyl]phenol Openeye Name: 3-[2-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]ethyl]phenol CAS Name: 3-[2-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]ethyl]phenol IUPAC Name: 3-[2-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]ethyl]phenol Traditional Name: 3-[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(=CC(=C1)O)CCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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