1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-1-phenethyl-3-(4-phenylbutyl)urea

Systemtic Name: 1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-1-phenethyl-3-(4-phenylbutyl)urea Openeye Name: 1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-1-phenethyl-3-(4-phenylbutyl)urea CAS Name: 1-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-1-phenethyl-3-(4-phenylbutyl)urea IUPAC Name: 1-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-1-phenethyl-3-(4-phenylbutyl)urea Traditional Name: 1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-1-phenethyl-3-(4-phenylbutyl)urea Formula: C29H29ClN6O3 MolecularWeight: 545.03196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)N(CCC2=CC=CC=C2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)N(CCC2=CC=CC=C2)C3=NC(=NC=C3[N+](=O)[O-])NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H29ClN6O3/c30-24-14-16-25(17-15-24)33-28-32-21-26(36(38)39)27(34-28)35(20-18-23-11-5-2-6-12-23)29(37)31-19-8-7-13-22-9-3-1-4-10-22/h1-6,9-12,14-17,21H,7-8,13,18-20H2,(H,31,37)(H,32,33,34)