N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-5-carboxamide
Basic information
- CAS
804-25-1- Standard SMILES
O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1c[nH]c(=O)[nH]c1=O- InChIKey
GPBPMSJIGMCIPB-AWQFTUOYSA-N- Molecular formula
- C16H17Cl2N5O3
- Average molar mass
- 398.2 g/mol
- Monoisotopic mass
- 397.0708448
Names & identifiers
- Preferred name
- N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-5-carboxamide
- IUPAC
- N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2,4-dioxo-1H-pyrimidine-5-carboxamide
Names & synonyms
NSC61660804-25-1DTXSID10430132NSC-61660N'-[(E)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbohydrazide
Database identifiers
- CAS
804-25-1- PubChem CID
- 9561565
- DTXSID
DTXSID10430132
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 582
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Compound notes
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