1-[4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-3-methyl-butyl]-3-phenyl-urea

Systemtic Name: 1-[4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-3-methyl-butyl]-3-phenyl-urea Openeye Name: 1-[4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-3-methyl-butyl]-3-phenyl-urea CAS Name: 1-[4-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-3-methylbutyl]-3-phenylurea IUPAC Name: 1-[4-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]-3-methylbutyl]-3-phenylurea Traditional Name: 1-[4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-3-methyl-butyl]-3-phenyl-urea Formula: C22H24ClN7O3 MolecularWeight: 469.92406

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)NC1=CC=CC=C1)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(CCNC(=O)NC1=CC=CC=C1)CNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN7O3/c1-15(11-12-24-22(31)28-17-5-3-2-4-6-17)13-25-20-19(30(32)33)14-26-21(29-20)27-18-9-7-16(23)8-10-18/h2-10,14-15H,11-13H2,1H3,(H2,24,28,31)(H2,25,26,27,29)