3-[3-(6-chloranyl-2,5-dinitro-pyrimidin-4-yl)sulfanyl-5-methyl-phenyl]-1,1-dipropyl-urea

Systemtic Name: 3-[3-(6-chloranyl-2,5-dinitro-pyrimidin-4-yl)sulfanyl-5-methyl-phenyl]-1,1-dipropyl-urea Openeye Name: 3-[3-(6-chloro-2,5-dinitro-pyrimidin-4-yl)sulfanyl-5-methyl-phenyl]-1,1-dipropyl-urea CAS Name: 3-[3-[(6-chloro-2,5-dinitro-4-pyrimidinyl)thio]-5-methylphenyl]-1,1-dipropylurea IUPAC Name: 3-[3-(6-chloro-2,5-dinitropyrimidin-4-yl)sulfanyl-5-methylphenyl]-1,1-dipropylurea Traditional Name: 3-[3-[(6-chloro-2,5-dinitro-pyrimidin-4-yl)thio]-5-methyl-phenyl]-1,1-dipropyl-urea Formula: C18H21ClN6O5S MolecularWeight: 468.91454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)NC1=CC(=CC(=C1)C)SC2=C(C(=NC(=N2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C(=O)NC1=CC(=CC(=C1)C)SC2=C(C(=NC(=N2)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN6O5S/c1-4-6-23(7-5-2)18(26)20-12-8-11(3)9-13(10-12)31-16-14(24(27)28)15(19)21-17(22-16)25(29)30/h8-10H,4-7H2,1-3H3,(H,20,26)