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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1O)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1O)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN5O3/c1-23(11-12-4-2-3-5-16(12)25)17-15(24(26)27)10-20-18(22-17)21-14-8-6-13(19)7-9-14/h2-10,25H,11H2,1H3,(H,20,21,22)