1-[4-[[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]sulfonyl-3-phenylurea
Basic information
- CAS
167425-64-1- Standard SMILES
Cc1cc(C)nc(/N=C(/N)Nc2ccc(S(=O)(=O)NC(=O)Nc3ccccc3)cc2)n1- InChIKey
MWZMHLBLVDPOJE-UHFFFAOYSA-N- Molecular formula
- C20H21N7O3S
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.14265873
Names & identifiers
- Preferred name
- 1-[4-[[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]sulfonyl-3-phenylurea
- IUPAC
- 1-[4-[[(Z)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]sulfonyl-3-phenylurea
- English name
- (DHPS)
- Molecular formula
- C20H21N7O3S
- Molecular weight
- 439.49
Names & synonyms
NSC-107328(DHPS)Recombinant Human DHS/DHPS Protein, His TagBenzenesulfonamide, 4-[[[(4,6-dimethyl-2-pyrimidinyl)amino]iminomethyl]amino]-N-[(phenylamino)carbonyl]-
Database identifiers
- CAS
167425-64-1- PubChem CID
- 5380922
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 716
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Compound notes
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