Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 375.21208 [g/mol] Molecular Formula C16H12Cl2N6O XLogP 4.7 H-Bond Donor 3 H-Bond Acceptor 6 Rotatable Bond Count 4 Tautomer Count 25 Exact Mass 374.044964 MonoIsotopic Mass 374.044964 Topological Polar Surface Area 104 Heavy Atom Count 25 Formal Charge 0 Complexity 599 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-amino-6-[(3,
4-dichlorophenyl)amino]-5-phenyldiazenyl-1H-pyrimidin-4-one
Canonical SMILES: C1=CC=C(C=C1)N=NC2=C(NC(=NC2=O)N)NC3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1/C16H12Cl2N6O/c17-11-7-6-10(8-12(11)18)20-14-13(15(25)22-16(19)
21-14)24-23-9-4-2-1-3-5-9/h1-8H,(H4,19,20,21,22,25)/b24-23+/f/h20-21H,
19H2
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